1-butyl-4,6-dimethylpyrimidin-2-one

C10H16N2O — CID 175647238

IUPAC1-butyl-4,6-dimethylpyrimidin-2-one
SMILESCCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H16N2O/c1-4-5-6-12-9(3)7-8(2)11-10(12)13/h7H,4-6H2,1-3H3
InChIKeyTYKHUQQUAOQYKH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.66
Rot. Bonds3

About 1-butyl-4,6-dimethylpyrimidin-2-one

1-butyl-4,6-dimethylpyrimidin-2-one (PubChem CID 175647238) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-butyl-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-butyl-4,6-dimethylpyrimidin-2-one
PubChem CID175647238
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-butyl-4,6-dimethylpyrimidin-2-one
SMILESCCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C10H16N2O/c1-4-5-6-12-9(3)7-8(2)11-10(12)13/h7H,4-6H2,1-3H3
InChIKeyTYKHUQQUAOQYKH-UHFFFAOYSA-N
XLogP1.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4,6-dimethylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,6-trimethylpyrimidin-2(1H)-one
CID 853977
1-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1,2-Dihydro-4,6-dimethyl-1-propyl-pyrimidin-2-one
CID 12795361
1,4,6-Trimethyl-2-pyrimidone hydrochloride
CID 24213361
3-Methyl-6,7-dihydropyrrolo[1,2-c]pyrimidin-1(5h)-one
CID 281647
N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 71895239
1,3,4,6-Tetramethylpyrimidin-1-ium-2-one
CID 853470
1,3,4,6-Tetramethylpyrimidin-1-ium-2-one chloride
CID 12097241
1,3-Diethyl-4,6-dimethylpyrimidin-1-ium-2-one chloride
CID 12097242
1,3-Diethyl-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097243
4,6-Dimethyl-1,3-dipropylpyrimidin-1-ium-2-one chloride
CID 12097244
4,6-Dimethyl-1,3-dipropylpyrimidin-1-ium-2-one
CID 12097245

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-butyl-4,6-dimethylpyrimidin-2-one (CID 175647238) is 1-butyl-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-butyl-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-butyl-4,6-dimethylpyrimidin-2-one is CCCCn1c(C)cc(C)nc1=O.
What is the InChIKey of 1-butyl-4,6-dimethylpyrimidin-2-one?
The InChIKey is TYKHUQQUAOQYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-6-12-9(3)7-8(2)11-10(12)13/h7H,4-6H2,1-3H3.
What are the key properties of 1-butyl-4,6-dimethylpyrimidin-2-one?
1-butyl-4,6-dimethylpyrimidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 175647238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).