N-Methyl-1- (pyrimidin-4-yl) ethanamine

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CAS Number

1177350-48-9

MDL Number

MFCD09055386

Purity

=95%

Smiles

CNC(C)c1ccncn1

Chemical Information

N-methyl-1-(pyrimidin-4-yl)ethanamine

CAS Number	1177350-48-9
PubChem CID	45791287
IUPAC Name	N-methyl-1-pyrimidin-4-ylethanamine
Molecular Formula	C7H11N3
Molecular Weight	137.18
XLogP	0
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	94

SMILES

CC(C1=NC=NC=C1)NC

InChI

InChI=1S/C7H11N3/c1-6(8-2)7-3-4-9-5-10-7/h3-6,8H,1-2H3

InChIKey

PEBCUFKRRNOSIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1177350-48-9

CID: 45791287

Formula: C7H11N3

MW: 137.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.18
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	137.095297364
Monoisotopic Mass	137.095297364
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	94.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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