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

C22H24N4O2 — CID 177383024

IUPAC2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(CN2CCc3nc(NCc4ccccc4)[nH]c(=O)c3C2)c1
InChIInChI=1S/C22H24N4O2/c1-28-18-9-5-8-17(12-18)14-26-11-10-20-19(15-26)21(27)25-22(24-20)23-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H2,23,24,25,27)
InChIKeyMHNKSKCMZFVGBT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.95
Rot. Bonds6

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

2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 177383024) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID177383024
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(CN2CCc3nc(NCc4ccccc4)[nH]c(=O)c3C2)c1
InChIInChI=1S/C22H24N4O2/c1-28-18-9-5-8-17(12-18)14-26-11-10-20-19(15-26)21(27)25-22(24-20)23-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H2,23,24,25,27)
InChIKeyMHNKSKCMZFVGBT-UHFFFAOYSA-N
XLogP2.95
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(4-Methoxyphenyl)-2-(4-methylpiperidin-1-yl)-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
CID 135476887
11-Benzyl-5-[(3-methoxyphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161695
11-Benzyl-5-[(2-methoxyphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161719
11-Benzyl-5-[(4-methoxyphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161723
Ign 2098
CID 135483992
N-benzyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3290280
N-benzyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 4297928
2-(benzylamino)-6-(4-methoxyphenyl)-4(3H)-pyrimidinone
CID 135414572
3-methoxy-N-(4-oxo-3,4,5,6,7,8-hexahydro-2-quinazolinyl)benzenecarboxamide
CID 135476803
4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-5-methyl-1H-pyrimidin-6-one
CID 137175147
6-benzyl-1-ethyl-3-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 155540181
3-benzyl-1-ethyl-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 155560532

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 177383024) is 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cccc(CN2CCc3nc(NCc4ccccc4)[nH]c(=O)c3C2)c1.
What is the InChIKey of 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MHNKSKCMZFVGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-18-9-5-8-17(12-18)14-26-11-10-20-19(15-26)21(27)25-22(24-20)23-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H2,23,24,25,27).
What are the key properties of 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177383024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).