Name: Name:2-Propyn-1-ol, 3-[2-chloro-4-(cyclopentylamino)-5-pyrimidinyl]-
Brand: Angene
SKU: AG0013AL
Rating: 90 (10 reviews)

2-Propyn-1-ol, 3-[2-chloro-4-(cyclopentylamino)-5-pyrimidinyl]-

CAS No.:

1374639-76-5

Catalog Number:

AG0013AL

Molecular Formula:

C12H14ClN3O

Molecular Weight:

251.7121

Catalog Number:

AG0013AL

Chemical Name:

2-Propyn-1-ol, 3-[2-chloro-4-(cyclopentylamino)-5-pyrimidinyl]-

CAS Number:

1374639-76-5

Molecular Formula:

C12H14ClN3O

Molecular Weight:

251.7121

MDL Number:

MFCD30721593

IUPAC Name:

3-[2-chloro-4-(cyclopentylamino)pyrimidin-5-yl]prop-2-yn-1-ol

InChI:

InChI=1S/C12H14ClN3O/c13-12-14-8-9(4-3-7-17)11(16-12)15-10-5-1-2-6-10/h8,10,17H,1-2,5-7H2,(H,14,15,16)

InChI Key:

CHGKAGOTEWCHJL-UHFFFAOYSA-N

SMILES:

OCC#Cc1cnc(nc1NC1CCCC1)Cl

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.714g/mol

Monoisotopic Mass:

251.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3