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

C18H24N4O2 — CID 45484785

IUPAC6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCOc2ccccc2)c(N2CCNCC2)n1
InChIInChI=1S/C18H24N4O2/c1-15-14-17(23)22(18(20-15)21-11-8-19-9-12-21)10-5-13-24-16-6-3-2-4-7-16/h2-4,6-7,14,19H,5,8-13H2,1H3
InChIKeyMCJDAUSDPHMHLQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.43
Rot. Bonds6

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

6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one (PubChem CID 45484785) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one
PubChem CID45484785
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCOc2ccccc2)c(N2CCNCC2)n1
InChIInChI=1S/C18H24N4O2/c1-15-14-17(23)22(18(20-15)21-11-8-19-9-12-21)10-5-13-24-16-6-3-2-4-7-16/h2-4,6-7,14,19H,5,8-13H2,1H3
InChIKeyMCJDAUSDPHMHLQ-UHFFFAOYSA-N
XLogP1.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-(2-fluorophenoxy)propyl)-6-methyl-2-(piperazin-1-yl)pyrimidin-4(3H)-one
CID 45484801
3-(3-(2-chlorophenoxy)propyl)-6-methyl-2-(piperazin-1-yl)pyrimidin-4(1H)-one
CID 45484827
3-(3-(3-chlorophenoxy)propyl)-6-methyl-2-(piperazin-1-yl)pyrimidin-4(1H)-one
CID 45484833
3-(3-(4-chlorophenoxy)propyl)-6-methyl-2-(piperazin-1-yl)pyrimidin-4(1H)-one
CID 45484841
6-methyl-2-((R)-2-methylpiperazin-1-yl)-3-(3-phenoxypropyl)pyrimidin-4(1H)-one
CID 45484848
2-amino-5-nitroso-4-(3-phenoxypropylamino)-1H-pyrimidin-6-one
CID 135987601
2-amino-4-[3-(4-methoxyphenoxy)propylamino]-5-nitroso-1H-pyrimidin-6-one
CID 136055823
2-amino-4-[3-(4-butoxyphenoxy)propylamino]-5-nitroso-1H-pyrimidin-6-one
CID 136055826
1,3-Dimethyl-6-[2-(3-phenoxypropylamino)ethylamino]pyrimidine-2,4-dione
CID 10449439
6-[4-[3-(4-Fluorophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 19011827
3-(3-(3-fluorophenoxy)propyl)-6-methyl-2-(piperazin-1-yl)pyrimidin-4(1H)-one
CID 45484812
3-(3-(4-fluorophenoxy)propyl)-6-methyl-2-(piperazin-1-yl)pyrimidin-4(1H)-one
CID 45484826

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one (CID 45484785) is 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one is Cc1cc(=O)n(CCCOc2ccccc2)c(N2CCNCC2)n1.
What is the InChIKey of 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
The InChIKey is MCJDAUSDPHMHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-15-14-17(23)22(18(20-15)21-11-8-19-9-12-21)10-5-13-24-16-6-3-2-4-7-16/h2-4,6-7,14,19H,5,8-13H2,1H3.
What are the key properties of 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-phenoxypropyl)-2-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 45484785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).