6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one

C18H24N4O — CID 45484960

IUPAC6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCc2ccccc2)c(N2CCNCC2)n1
InChIInChI=1S/C18H24N4O/c1-15-14-17(23)22(11-5-8-16-6-3-2-4-7-16)18(20-15)21-12-9-19-10-13-21/h2-4,6-7,14,19H,5,8-13H2,1H3
InChIKeyDHPNIGRRWXUYQT-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.59
Rot. Bonds5

About 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one

6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one (PubChem CID 45484960) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one
PubChem CID45484960
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCc2ccccc2)c(N2CCNCC2)n1
InChIInChI=1S/C18H24N4O/c1-15-14-17(23)22(11-5-8-16-6-3-2-4-7-16)18(20-15)21-12-9-19-10-13-21/h2-4,6-7,14,19H,5,8-13H2,1H3
InChIKeyDHPNIGRRWXUYQT-UHFFFAOYSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one (CID 45484960) is 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one is Cc1cc(=O)n(CCCc2ccccc2)c(N2CCNCC2)n1.
What is the InChIKey of 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one?
The InChIKey is DHPNIGRRWXUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-14-17(23)22(11-5-8-16-6-3-2-4-7-16)18(20-15)21-12-9-19-10-13-21/h2-4,6-7,14,19H,5,8-13H2,1H3.
What are the key properties of 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one?
6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one has a molecular weight of 312.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-phenylpropyl)-2-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 45484960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).