Name: Name:5-Pyrimidinecarboxylic acid, 4-(cyclopentylamino)-2-(methylthio)-, ethyl ester
Brand: Angene
SKU: AG002L90
Rating: 90 (10 reviews)

5-Pyrimidinecarboxylic acid, 4-(cyclopentylamino)-2-(methylthio)-, ethyl ester

CAS No.:

211245-62-4

Catalog Number:

AG002L90

Molecular Formula:

C13H19N3O2S

Molecular Weight:

281.3739

Catalog Number:

AG002L90

Chemical Name:

5-Pyrimidinecarboxylic acid, 4-(cyclopentylamino)-2-(methylthio)-, ethyl ester

CAS Number:

211245-62-4

Molecular Formula:

C13H19N3O2S

Molecular Weight:

281.3739

MDL Number:

MFCD09833994

IUPAC Name:

ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate

InChI:

InChI=1S/C13H19N3O2S/c1-3-18-12(17)10-8-14-13(19-2)16-11(10)15-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)

InChI Key:

MYJQMHHJSZBXNK-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnc(nc1NC1CCCC1)SC

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.374g/mol

Monoisotopic Mass:

281.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4