3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one

C19H21N7O — CID 143560981

IUPAC3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC1CN(c2ccncc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H21N7O/c1-14-12-25(15-3-6-20-7-4-15)9-10-26(14)19-23-17(11-18(27)24(19)2)16-5-8-21-13-22-16/h3-8,11,13-14H,9-10,12H2,1-2H3
InChIKeyPYMKJENGXMTETO-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.35
Rot. Bonds3

About 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one

3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 143560981) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID143560981
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC1CN(c2ccncc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H21N7O/c1-14-12-25(15-3-6-20-7-4-15)9-10-26(14)19-23-17(11-18(27)24(19)2)16-5-8-21-13-22-16/h3-8,11,13-14H,9-10,12H2,1-2H3
InChIKeyPYMKJENGXMTETO-UHFFFAOYSA-N
XLogP1.35
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-2-(5-methyl-1,4-oxazepan-4-yl)-6-pyrimidin-4-ylpyrimidin-4-one
CID 67281369
3-methyl-2-[(1R)-5-pyridin-4-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25253181
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004927
2-[(2R)-4-(4-fluorobenzoyl)-2-methylpiperidin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 66771595
N-[4-[(3R)-3-methyl-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzenecarboximidoyl]butanamide
CID 173296768
2-[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]-2-methylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 143560974
3-methyl-2-[(1R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25253180
2-[3-(4-chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11269073
3-methyl-2-[(3S)-3-(4-piperidin-1-ylphenyl)piperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one;trihydrochloride
CID 162305337
2-[(1S)-5-(4-bromobenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 21091733
3-methyl-6-pyrimidin-4-yl-2-(5-quinolin-3-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-one
CID 10431750
2-[(3S)-3-(4-fluoroanilino)pyrrolidin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one (CID 143560981) is 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one is CC1CN(c2ccncc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is PYMKJENGXMTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-14-12-25(15-3-6-20-7-4-15)9-10-26(14)19-23-17(11-18(27)24(19)2)16-5-8-21-13-22-16/h3-8,11,13-14H,9-10,12H2,1-2H3.
What are the key properties of 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one?
3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 363.43 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 143560981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).