T-00127_HEV1

CAT: 0926-ALB87491-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-ALB87491-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

900874-91-1

MDL Number

MFCD06775497

Smiles

CC1=NC2=C (C (=NN2C (=C1) NCCN3CCOCC3) C) C4=CC (=C (C=C4) OC) OC

Molecular Formula

C22H29N5O3

Molecular Weight

411.5 g/mol

Controlled

Chemical Information

3-(3,4-Dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CAS Number	900874-91-1
PubChem CID	4904109
IUPAC Name	3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Molecular Formula	C22H29N5O3
Molecular Weight	411.5
XLogP	2.7
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	535

SMILES

CC1=NC2=C(C(=NN2C(=C1)NCCN3CCOCC3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3

InChIKey

RITGMCAEZVMEQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 900874-91-1

CID: 4904109

Formula: C22H29N5O3

MW: 411.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	411.5
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	411.22703980
Monoisotopic Mass	411.22703980
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	535
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