2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

C21H24N6O — CID 25005628

IUPAC2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C21H24N6O/c1-16-13-26(14-17-6-4-3-5-7-17)10-11-27(16)21-24-19(12-20(28)25(21)2)18-8-9-22-15-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyUHKPMPDIMPSXPN-MRXNPFEDSA-N
MW376.46 g/mol
LogP1.95
Rot. Bonds4

About 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25005628) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25005628
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C21H24N6O/c1-16-13-26(14-17-6-4-3-5-7-17)10-11-27(16)21-24-19(12-20(28)25(21)2)18-8-9-22-15-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyUHKPMPDIMPSXPN-MRXNPFEDSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

FK-3453
CID 52939114
(4,6-Dimethylpyrimidin-5-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone
CID 3008928
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 46
CID 5330232
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65
CID 5330251

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (CID 25005628) is 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is C[C@@H]1CN(Cc2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is UHKPMPDIMPSXPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O/c1-16-13-26(14-17-6-4-3-5-7-17)10-11-27(16)21-24-19(12-20(28)25(21)2)18-8-9-22-15-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25005628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).