4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one

C18H22N6O2 — CID 56743134

IUPAC4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(Nc2nc(N)nc3c2CCNC3)CC1=O
InChIInChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-14(15)24-10-11(8-16(24)25)21-17-12-6-7-20-9-13(12)22-18(19)23-17/h2-5,11,20H,6-10H2,1H3,(H3,19,21,22,23)
InChIKeyGTOPDYGISMCYQW-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.93
Rot. Bonds4

About 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one

4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 56743134) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID56743134
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(Nc2nc(N)nc3c2CCNC3)CC1=O
InChIInChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-14(15)24-10-11(8-16(24)25)21-17-12-6-7-20-9-13(12)22-18(19)23-17/h2-5,11,20H,6-10H2,1H3,(H3,19,21,22,23)
InChIKeyGTOPDYGISMCYQW-UHFFFAOYSA-N
XLogP0.93
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 72842101
4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 117102472
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
CID 95123830
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95217517
2-(cyclopenten-1-yl)-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119063709
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 51583799
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
4-isocyanato-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 82024637

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 56743134) is 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CC(Nc2nc(N)nc3c2CCNC3)CC1=O.
What is the InChIKey of 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is GTOPDYGISMCYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-14(15)24-10-11(8-16(24)25)21-17-12-6-7-20-9-13(12)22-18(19)23-17/h2-5,11,20H,6-10H2,1H3,(H3,19,21,22,23).
What are the key properties of 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 56743134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).