2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C17H22N4O2 — CID 135456337

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-12-13(2)18-17(19-16(12)22)21-10-8-20(9-11-21)14-6-4-5-7-15(14)23-3/h4-7H,8-11H2,1-3H3,(H,18,19,22)
InChIKeyZUNVHWDOLQDNKT-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135456337) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135456337
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-12-13(2)18-17(19-16(12)22)21-10-8-20(9-11-21)14-6-4-5-7-15(14)23-3/h4-7H,8-11H2,1-3H3,(H,18,19,22)
InChIKeyZUNVHWDOLQDNKT-UHFFFAOYSA-N
XLogP1.72
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135456337) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is COc1ccccc1N1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ZUNVHWDOLQDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-13(2)18-17(19-16(12)22)21-10-8-20(9-11-21)14-6-4-5-7-15(14)23-3/h4-7H,8-11H2,1-3H3,(H,18,19,22).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135456337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).