3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one

C22H22N4O — CID 58900061

IUPAC3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1ccc(C2=CCCN(c3nc(-c4ccncc4)cc(=O)n3C)C2)cc1
InChIInChI=1S/C22H22N4O/c1-16-5-7-17(8-6-16)19-4-3-13-26(15-19)22-24-20(14-21(27)25(22)2)18-9-11-23-12-10-18/h4-12,14H,3,13,15H2,1-2H3
InChIKeyZZDOPBHXKITMEW-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.44
Rot. Bonds3

About 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 58900061) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID58900061
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1ccc(C2=CCCN(c3nc(-c4ccncc4)cc(=O)n3C)C2)cc1
InChIInChI=1S/C22H22N4O/c1-16-5-7-17(8-6-16)19-4-3-13-26(15-19)22-24-20(14-21(27)25(22)2)18-9-11-23-12-10-18/h4-12,14H,3,13,15H2,1-2H3
InChIKeyZZDOPBHXKITMEW-UHFFFAOYSA-N
XLogP3.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one (CID 58900061) is 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one is Cc1ccc(C2=CCCN(c3nc(-c4ccncc4)cc(=O)n3C)C2)cc1.
What is the InChIKey of 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is ZZDOPBHXKITMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-5-7-17(8-6-16)19-4-3-13-26(15-19)22-24-20(14-21(27)25(22)2)18-9-11-23-12-10-18/h4-12,14H,3,13,15H2,1-2H3.
What are the key properties of 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 358.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[5-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 58900061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).