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

C16H20N4O — CID 135465150

IUPAC4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C16H20N4O/c1-12-13(2)17-16(18-15(12)21)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,18,21)
InChIKeyZJOSQKORXZZKGW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.71
Rot. Bonds2

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

4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135465150) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135465150
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C16H20N4O/c1-12-13(2)17-16(18-15(12)21)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,18,21)
InChIKeyZJOSQKORXZZKGW-UHFFFAOYSA-N
XLogP1.71
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135465150) is 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is ZJOSQKORXZZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-13(2)17-16(18-15(12)21)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,18,21).
What are the key properties of 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135465150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).