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

C14H16N4O — CID 136965770

IUPAC2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3c(c(=O)[nH]2)CCNC3)cc1
InChIInChI=1S/C14H16N4O/c1-9-2-4-10(5-3-9)16-14-17-12-8-15-7-6-11(12)13(19)18-14/h2-5,15H,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyVSXGOHXOYVYJAF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.47
Rot. Bonds2

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

2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136965770) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136965770
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3c(c(=O)[nH]2)CCNC3)cc1
InChIInChI=1S/C14H16N4O/c1-9-2-4-10(5-3-9)16-14-17-12-8-15-7-6-11(12)13(19)18-14/h2-5,15H,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyVSXGOHXOYVYJAF-UHFFFAOYSA-N
XLogP1.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965768
2-(2-chloroanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965778
2-(2-methoxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965781
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
2-(4-ethylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611961
2-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101810
2-(3-bromoanilino)-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one
CID 136965856
2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965762
2-(3-fluoroanilino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136965807
2-(4-phenoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779052
2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941632
2-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one;dihydrochloride
CID 154895356

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136965770) is 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is Cc1ccc(Nc2nc3c(c(=O)[nH]2)CCNC3)cc1.
What is the InChIKey of 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VSXGOHXOYVYJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-2-4-10(5-3-9)16-14-17-12-8-15-7-6-11(12)13(19)18-14/h2-5,15H,6-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 256.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136965770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).