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

C22H24N4O — CID 177383015

IUPAC2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(CN2CCc3nc(NCc4ccccc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C22H24N4O/c1-16-7-9-18(10-8-16)14-26-12-11-20-19(15-26)21(27)25-22(24-20)23-13-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H2,23,24,25,27)
InChIKeyVUKNFJGPENYPDR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.25
Rot. Bonds5

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

2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 177383015) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID177383015
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(CN2CCc3nc(NCc4ccccc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C22H24N4O/c1-16-7-9-18(10-8-16)14-26-12-11-20-19(15-26)21(27)25-22(24-20)23-13-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H2,23,24,25,27)
InChIKeyVUKNFJGPENYPDR-UHFFFAOYSA-N
XLogP3.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

Dordaviprone
CID 73777259
11-Benzyl-5-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161687
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
Onc212
CID 124085867
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
4-Hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpyrimidine-5-carbonitrile
CID 135412483
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one
CID 336423
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
6-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 146657356
11-Benzyl-5-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161665

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 177383015) is 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(CN2CCc3nc(NCc4ccccc4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VUKNFJGPENYPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-7-9-18(10-8-16)14-26-12-11-20-19(15-26)21(27)25-22(24-20)23-13-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H2,23,24,25,27).
What are the key properties of 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177383015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).