4-methyl-1-pentylpyrimidin-2-one

C10H16N2O — CID 91215679

IUPAC4-methyl-1-pentylpyrimidin-2-one
SMILESCCCCCn1ccc(C)nc1=O
InChIInChI=1S/C10H16N2O/c1-3-4-5-7-12-8-6-9(2)11-10(12)13/h6,8H,3-5,7H2,1-2H3
InChIKeyBAYAQSQXZJCIQY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.74
Rot. Bonds4

About 4-methyl-1-pentylpyrimidin-2-one

4-methyl-1-pentylpyrimidin-2-one (PubChem CID 91215679) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-1-pentylpyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-pentylpyrimidin-2-one
PubChem CID91215679
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methyl-1-pentylpyrimidin-2-one
SMILESCCCCCn1ccc(C)nc1=O
InChIInChI=1S/C10H16N2O/c1-3-4-5-7-12-8-6-9(2)11-10(12)13/h6,8H,3-5,7H2,1-2H3
InChIKeyBAYAQSQXZJCIQY-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1-propan-2-ylpyrimidin-2-one
CID 20735989
1-Tert-butyl-4-methylpyrimidin-2-one
CID 57816392
4-Methyl-1-(5-methylhexyl)pyrimidin-2-one
CID 59434684
1,4-Dipentylpyrimidin-2-one
CID 66633363
1-Pentylpyrimidin-2-one
CID 67610147
1-Ethyl-4-methylpyrimidin-2-one
CID 68421518
1,4-Diethylpyrimidin-2-one
CID 89508919
1-Hexylpyrimidin-2-one
CID 116618313
1-Tert-butyl-5-deuterio-4-methylpyrimidin-2-one
CID 129013324
1-Tert-butyl-6-deuterio-4-methylpyrimidin-2-one
CID 129013325
4-(Aminomethyl)-1-propylpyrimidin-2-one
CID 143039118
1,4-Dimethylpyrimidin-2-one;ethane
CID 144443693

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentylpyrimidin-2-one?
The IUPAC name of 4-methyl-1-pentylpyrimidin-2-one (CID 91215679) is 4-methyl-1-pentylpyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-pentylpyrimidin-2-one?
The canonical SMILES for 4-methyl-1-pentylpyrimidin-2-one is CCCCCn1ccc(C)nc1=O.
What is the InChIKey of 4-methyl-1-pentylpyrimidin-2-one?
The InChIKey is BAYAQSQXZJCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-5-7-12-8-6-9(2)11-10(12)13/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-methyl-1-pentylpyrimidin-2-one?
4-methyl-1-pentylpyrimidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentylpyrimidin-2-one is sourced from PubChem (CID 91215679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).