Name: Name:5-PyriMidinecarboxylic acid,4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)-1-pyrrolidinyl]-, ethyl ester
Brand: Angene
SKU: AG00CACJ
Rating: 90 (10 reviews)

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

CAS No.:

330785-83-6

Catalog Number:

AG00CACJ

Molecular Formula:

C20H25ClN4O4

Molecular Weight:

420.8899

Catalog Number:

AG00CACJ

Chemical Name:

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

CAS Number:

330785-83-6

Molecular Formula:

C20H25ClN4O4

Molecular Weight:

420.8899

MDL Number:

MFCD17012696

IUPAC Name:

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

InChI:

InChI=1S/C20H25ClN4O4/c1-3-29-19(27)15-11-23-20(25-8-4-5-14(25)12-26)24-18(15)22-10-13-6-7-17(28-2)16(21)9-13/h6-7,9,11,14,26H,3-5,8,10,12H2,1-2H3,(H,22,23,24)/t14-/m0/s1

InChI Key:

NUTJUOHYJBWTSH-AWEZNQCLSA-N

SMILES:

CCOC(=O)c1cnc(nc1NCc1ccc(c(c1)Cl)OC)N1CCC[C@H]1CO

EC Number:

809-849-9

Complexity:

529

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

420.156g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

420.894g/mol

Monoisotopic Mass:

420.156g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7