2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C16H21N5O — CID 25004925

IUPAC2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(C)CCN1c1nc(-c2ccncc2)cc(=O)n1C
InChIInChI=1S/C16H21N5O/c1-12-11-19(2)8-9-21(12)16-18-14(10-15(22)20(16)3)13-4-6-17-7-5-13/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyXXCQKCMCFPWOND-GFCCVEGCSA-N
MW299.38 g/mol
LogP0.98
Rot. Bonds2

About 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 25004925) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID25004925
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(C)CCN1c1nc(-c2ccncc2)cc(=O)n1C
InChIInChI=1S/C16H21N5O/c1-12-11-19(2)8-9-21(12)16-18-14(10-15(22)20(16)3)13-4-6-17-7-5-13/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyXXCQKCMCFPWOND-GFCCVEGCSA-N
XLogP0.98
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Propiram
CID 26216
2-(4-((Pyridin-4-Yl)methyl)piperazin-1-Yl)-3,4,5,6,7,8-Hexahydroquinazolin-4-One
CID 135567045
2-Amino-6-pyridin-3-yl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136055841
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
2-[3-(4-Chlorophenyl)-1-piperazinyl]-3-methyl-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 11315047
2-[3-(2-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11315049
2-[3-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11485846
2-[3-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11748865
2-[5-Aminopentyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595656
2-(2-Cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595681
2-[4-Aminobutyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595683

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 25004925) is 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is C[C@@H]1CN(C)CCN1c1nc(-c2ccncc2)cc(=O)n1C.
What is the InChIKey of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is XXCQKCMCFPWOND-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-11-19(2)8-9-21(12)16-18-14(10-15(22)20(16)3)13-4-6-17-7-5-13/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 299.38 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25004925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).