4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C14H16N4O2 — CID 117101919

IUPAC4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCOc1ccccc1Nc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C14H16N4O2/c1-20-12-5-3-2-4-10(12)16-13-9-6-7-15-8-11(9)17-14(19)18-13/h2-5,15H,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyNAOHAEIPIIYHRT-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.17
Rot. Bonds3

About 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 117101919) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID117101919
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCOc1ccccc1Nc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C14H16N4O2/c1-20-12-5-3-2-4-10(12)16-13-9-6-7-15-8-11(9)17-14(19)18-13/h2-5,15H,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyNAOHAEIPIIYHRT-UHFFFAOYSA-N
XLogP1.17
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one with MolForge

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Related Compounds

2-methoxy-N-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102067
4-(2-methylanilino)-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-2-one
CID 117102417
2-methoxy-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102322
2-(2-methoxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965781
4-(methylamino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83862595
4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 117102472
4-(4-fluoroanilino)-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-2-one
CID 117102383
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
CID 66613515
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate
CID 61245036

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 117101919) is 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is COc1ccccc1Nc1nc(=O)[nH]c2c1CCNC2.
What is the InChIKey of 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is NAOHAEIPIIYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-12-5-3-2-4-10(12)16-13-9-6-7-15-8-11(9)17-14(19)18-13/h2-5,15H,6-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 117101919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).