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

C19H26N4O2 — CID 45484971

IUPAC6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCOCc2ccccc2)c(N2CCNCC2)n1
InChIInChI=1S/C19H26N4O2/c1-16-14-18(24)23(19(21-16)22-11-8-20-9-12-22)10-5-13-25-15-17-6-3-2-4-7-17/h2-4,6-7,14,20H,5,8-13,15H2,1H3
InChIKeyNOXGPUCFCIDFLF-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.57
Rot. Bonds7

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

6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one (PubChem CID 45484971) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one
PubChem CID45484971
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCOCc2ccccc2)c(N2CCNCC2)n1
InChIInChI=1S/C19H26N4O2/c1-16-14-18(24)23(19(21-16)22-11-8-20-9-12-22)10-5-13-25-15-17-6-3-2-4-7-17/h2-4,6-7,14,20H,5,8-13,15H2,1H3
InChIKeyNOXGPUCFCIDFLF-UHFFFAOYSA-N
XLogP1.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one (CID 45484971) is 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one is Cc1cc(=O)n(CCCOCc2ccccc2)c(N2CCNCC2)n1.
What is the InChIKey of 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
The InChIKey is NOXGPUCFCIDFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-16-14-18(24)23(19(21-16)22-11-8-20-9-12-22)10-5-13-25-15-17-6-3-2-4-7-17/h2-4,6-7,14,20H,5,8-13,15H2,1H3.
What are the key properties of 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one?
6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one has a molecular weight of 342.44 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-phenylmethoxypropyl)-2-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 45484971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).