4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one

C15H18N4O2 — CID 136923018

IUPAC4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N3CCNCC3)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-21-12-4-2-11(3-5-12)13-10-14(20)18-15(17-13)19-8-6-16-7-9-19/h2-5,10,16H,6-9H2,1H3,(H,17,18,20)
InChIKeyCYPPJCSWMGHRRW-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.86
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one

4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 136923018) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID136923018
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N3CCNCC3)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-21-12-4-2-11(3-5-12)13-10-14(20)18-15(17-13)19-8-6-16-7-9-19/h2-5,10,16H,6-9H2,1H3,(H,17,18,20)
InChIKeyCYPPJCSWMGHRRW-UHFFFAOYSA-N
XLogP0.86
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 136923018) is 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(N3CCNCC3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is CYPPJCSWMGHRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-12-4-2-11(3-5-12)13-10-14(20)18-15(17-13)19-8-6-16-7-9-19/h2-5,10,16H,6-9H2,1H3,(H,17,18,20).
What are the key properties of 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 286.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136923018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).