4-butyl-6-methyl-1H-pyrimidin-2-one

C9H14N2O — CID 106659501

IUPAC4-butyl-6-methyl-1H-pyrimidin-2-one
SMILESCCCCc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-6-7(2)10-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyQOPOXSDUUJSSDP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.42
Rot. Bonds3

About 4-butyl-6-methyl-1H-pyrimidin-2-one

4-butyl-6-methyl-1H-pyrimidin-2-one (PubChem CID 106659501) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-butyl-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-butyl-6-methyl-1H-pyrimidin-2-one
PubChem CID106659501
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-butyl-6-methyl-1H-pyrimidin-2-one
SMILESCCCCc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-6-7(2)10-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyQOPOXSDUUJSSDP-UHFFFAOYSA-N
XLogP1.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4,6-dimethylpyrimidine
CID 9508
4-Cyclopropyl-6-methylpyrimidin-2(1H)-one
CID 19804694
4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride
CID 12343166
4,6-Diisopropylpyrimidine-2-ol
CID 59336135
6-methyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidin-2-one
CID 135006296
Pyrimidine, 2-hydroxy-4,6-dimethyl-5-propyl-
CID 45064201
Pyrimidine, 5-allyl-2-hydroxy-4,6-dimethyl-
CID 45064206
2-Hydroxy-4,6-dimethylpyrimidine dihydrate
CID 20548799
4-Methyl-6-(propan-2-yl)pyrimidin-2-ol
CID 75454674
Dimethylethylpyrimidone
CID 129712052
4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
CID 123325986
6-Ethyl-4-methyl-1,2-dihydropyrimidin-2-one
CID 12343172

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-butyl-6-methyl-1H-pyrimidin-2-one (CID 106659501) is 4-butyl-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-butyl-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-butyl-6-methyl-1H-pyrimidin-2-one is CCCCc1cc(C)[nH]c(=O)n1.
What is the InChIKey of 4-butyl-6-methyl-1H-pyrimidin-2-one?
The InChIKey is QOPOXSDUUJSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-4-5-8-6-7(2)10-9(12)11-8/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 4-butyl-6-methyl-1H-pyrimidin-2-one?
4-butyl-6-methyl-1H-pyrimidin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 106659501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).