Name: Name:5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-
Brand: Angene
SKU: AG00CAUE
Rating: 90 (10 reviews)

5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-

CAS No.:

330785-84-7

Catalog Number:

AG00CAUE

Molecular Formula:

C18H21ClN4O4

Molecular Weight:

392.8367

Catalog Number:

AG00CAUE

Chemical Name:

5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]-

CAS Number:

330785-84-7

Molecular Formula:

C18H21ClN4O4

Molecular Weight:

392.8367

MDL Number:

MFCD18072441

IUPAC Name:

4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid

InChI:

InChI=1S/C18H21ClN4O4/c1-27-15-5-4-11(7-14(15)19)8-20-16-13(17(25)26)9-21-18(22-16)23-6-2-3-12(23)10-24/h4-5,7,9,12,24H,2-3,6,8,10H2,1H3,(H,25,26)(H,20,21,22)/t12-/m0/s1

InChI Key:

KJYHORVTWSYSQP-LBPRGKRZSA-N

SMILES:

OC[C@@H]1CCCN1c1ncc(c(n1)NCc1ccc(c(c1)Cl)OC)C(=O)O

EC Number:

807-887-0

Complexity:

500

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

392.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

392.84g/mol

Monoisotopic Mass:

392.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: