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

C22H24N4O — CID 177382995

IUPAC6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1CNc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H24N4O/c1-16-7-5-6-10-18(16)13-23-22-24-20-11-12-26(15-19(20)21(27)25-22)14-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H2,23,24,25,27)
InChIKeyBLBKZGZSMSPTCL-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.25
Rot. Bonds5

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

6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 177382995) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID177382995
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1CNc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H24N4O/c1-16-7-5-6-10-18(16)13-23-22-24-20-11-12-26(15-19(20)21(27)25-22)14-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H2,23,24,25,27)
InChIKeyBLBKZGZSMSPTCL-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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 177382995) is 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccccc1CNc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BLBKZGZSMSPTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-7-5-6-10-18(16)13-23-22-24-20-11-12-26(15-19(20)21(27)25-22)14-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H2,23,24,25,27).
What are the key properties of 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-[(2-methylphenyl)methylamino]-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 6-benzyl-2-[(2-methylphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177382995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).