2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one

C15H26N2O — CID 170118165

IUPAC2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one
SMILESCCCCCCCC(C)(CC)c1nccc(=O)[nH]1
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-9-11-15(3,5-2)14-16-12-10-13(18)17-14/h10,12H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyIZWSKQNRZVECDV-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.80
Rot. Bonds8

About 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one

2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one (PubChem CID 170118165) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one
PubChem CID170118165
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one
SMILESCCCCCCCC(C)(CC)c1nccc(=O)[nH]1
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-9-11-15(3,5-2)14-16-12-10-13(18)17-14/h10,12H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyIZWSKQNRZVECDV-UHFFFAOYSA-N
XLogP3.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one (CID 170118165) is 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one is CCCCCCCC(C)(CC)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is IZWSKQNRZVECDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-7-8-9-11-15(3,5-2)14-16-12-10-13(18)17-14/h10,12H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one?
2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 250.39 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyldecan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 170118165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).