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

C14H16N4O2 — CID 117102125

IUPAC4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cccc(Nc2nc(=O)[nH]c3c2CNCC3)c1
InChIInChI=1S/C14H16N4O2/c1-20-10-4-2-3-9(7-10)16-13-11-8-15-6-5-12(11)17-14(19)18-13/h2-4,7,15H,5-6,8H2,1H3,(H2,16,17,18,19)
InChIKeyJMHHRVOSLHXTLP-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.17
Rot. Bonds3

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

4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 117102125) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID117102125
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cccc(Nc2nc(=O)[nH]c3c2CNCC3)c1
InChIInChI=1S/C14H16N4O2/c1-20-10-4-2-3-9(7-10)16-13-11-8-15-6-5-12(11)17-14(19)18-13/h2-4,7,15H,5-6,8H2,1H3,(H2,16,17,18,19)
InChIKeyJMHHRVOSLHXTLP-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-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one with MolForge

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Related Compounds

N-(3-methoxyphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101821
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582780
4-(4-bromoanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101892
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
N-(3-chlorophenyl)-2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101814
2-methoxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102045
2-(3-methoxyanilino)-1H-pyrimidin-6-one
CID 716132
2-anilino-4-(3-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30317656
2-methoxy-N-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101522
5-(3-methoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412255
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one (CID 117102125) is 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one is COc1cccc(Nc2nc(=O)[nH]c3c2CNCC3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is JMHHRVOSLHXTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-10-4-2-3-9(7-10)16-13-11-8-15-6-5-12(11)17-14(19)18-13/h2-4,7,15H,5-6,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-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-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 117102125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).