2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one

C23H26N4O — CID 135402546

IUPAC2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C23H26N4O/c1-17-18(2)24-23(25-22(17)28)27-15-13-26(14-16-27)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-16H2,1-2H3,(H,24,25,28)
InChIKeyBLUNNCBRVBHUAZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one

2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135402546) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135402546
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C23H26N4O/c1-17-18(2)24-23(25-22(17)28)27-15-13-26(14-16-27)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-16H2,1-2H3,(H,24,25,28)
InChIKeyBLUNNCBRVBHUAZ-UHFFFAOYSA-N
XLogP3.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 135402546) is 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1C.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is BLUNNCBRVBHUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-18(2)24-23(25-22(17)28)27-15-13-26(14-16-27)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-16H2,1-2H3,(H,24,25,28).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 374.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135402546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).