5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C17H22N4O — CID 135417579

IUPAC5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-13-15(12-14-6-4-3-5-7-14)16(22)19-17(18-13)21-10-8-20(2)9-11-21/h3-7H,8-12H2,1-2H3,(H,18,19,22)
InChIKeyQOJNMYLYKDVUFY-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.42
Rot. Bonds3

About 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135417579) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135417579
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C)CC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-13-15(12-14-6-4-3-5-7-14)16(22)19-17(18-13)21-10-8-20(2)9-11-21/h3-7H,8-12H2,1-2H3,(H,18,19,22)
InChIKeyQOJNMYLYKDVUFY-UHFFFAOYSA-N
XLogP1.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135417579) is 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCN(C)CC2)[nH]c(=O)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QOJNMYLYKDVUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-15(12-14-6-4-3-5-7-14)16(22)19-17(18-13)21-10-8-20(2)9-11-21/h3-7H,8-12H2,1-2H3,(H,18,19,22).
What are the key properties of 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 298.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135417579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).