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

C19H25N3O — CID 137286176

IUPAC6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)CCc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H25N3O/c1-14(2)8-9-18-20-17-10-11-22(13-16(17)19(23)21-18)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,21,23)
InChIKeyYMOHOBJJUOJBDO-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.92
Rot. Bonds5

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

6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137286176) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137286176
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)CCc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H25N3O/c1-14(2)8-9-18-20-17-10-11-22(13-16(17)19(23)21-18)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,21,23)
InChIKeyYMOHOBJJUOJBDO-UHFFFAOYSA-N
XLogP2.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
4-Phenyl-2H-pyrido(1,2-A)pyrimidin-2-one
CID 3813423
7-benzyl-6-imino-13-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145972389
2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
CID 704582
7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458502
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135960846
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137286176) is 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)CCc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YMOHOBJJUOJBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)8-9-18-20-17-10-11-22(13-16(17)19(23)21-18)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,21,23).
What are the key properties of 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 311.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(3-methylbutyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137286176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).