Mavacamten Impurity 12

CAT: 1299-RM-M202712-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-M202712-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

887581-47-7

Synonyms

6-chloro-3-isopropylpyrimidine-2,4 (1H,3H) -dione

Molecular Formula

C7H9ClN2O2

Molecular Weight

188.61

Target Alternative Name

Mavacamten

Chemical Information

6-Chloro-3-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

CAS Number	887581-47-7
PubChem CID	820107
IUPAC Name	6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
Molecular Formula	C7H9ClN2O2
Molecular Weight	188.61
XLogP	0.8
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	260

SMILES

CC(C)N1C(=O)C=C(NC1=O)Cl

InChI

InChI=1S/C7H9ClN2O2/c1-4(2)10-6(11)3-5(8)9-7(10)12/h3-4H,1-2H3,(H,9,12)

InChIKey

KGNSZFNQYGWUGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 887581-47-7

CID: 820107

Formula: C7H9ClN2O2

MW: 188.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.61
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	188.0352552
Monoisotopic Mass	188.0352552
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	260
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M05334-01	Mavacamten Impurity 3
AR-M05333-01	Mavacamten Impurity 2
AR-M05331-01	Mavacamten Impurity 1
CS-O-60064	Mavacamten Nitroso Impurity 1
CS-O-60063	(R) -Mavacamten N-Nitroso Impurity
CS-O-60065	Mavacamten N-Nitroso-Cyclohexyl Analog Impurity
GTR19163735-01	Mavacamten
TRC-H299820-10MG	Hydroxy Mavacamten
TRC-M299820-100MG	Ent-Mavacamten
A19326-1	Mavacamten 1mg