6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C14H16N4O — CID 162371579

IUPAC6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(c(=O)[nH]2)CN(C)CC3)n1
InChIInChI=1S/C14H16N4O/c1-9-4-3-5-12(15-9)13-16-11-6-7-18(2)8-10(11)14(19)17-13/h3-5H,6-8H2,1-2H3,(H,16,17,19)
InChIKeyKOINXEGAKMBYHJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.13
Rot. Bonds1

About 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 162371579) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID162371579
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(c(=O)[nH]2)CN(C)CC3)n1
InChIInChI=1S/C14H16N4O/c1-9-4-3-5-12(15-9)13-16-11-6-7-18(2)8-10(11)14(19)17-13/h3-5H,6-8H2,1-2H3,(H,16,17,19)
InChIKeyKOINXEGAKMBYHJ-UHFFFAOYSA-N
XLogP1.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941632
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066
2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136857282
4-hydroxy-5-iodo-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 66285779
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704
6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707347
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707310
6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707333
6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795909
6-[2-(2-fluorophenyl)acetyl]-2-(5-methylpyrazin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136875003
7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864071

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 162371579) is 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cccc(-c2nc3c(c(=O)[nH]2)CN(C)CC3)n1.
What is the InChIKey of 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KOINXEGAKMBYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-4-3-5-12(15-9)13-16-11-6-7-18(2)8-10(11)14(19)17-13/h3-5H,6-8H2,1-2H3,(H,16,17,19).
What are the key properties of 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 256.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 162371579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).