4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one

C9H12N2O2 — CID 12613592

IUPAC4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one
SMILESCC(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H12N2O2/c1-6-4-7(2)11(5-8(3)12)9(13)10-6/h4H,5H2,1-3H3
InChIKeyKNEZRQDKSNZTMY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.45
Rot. Bonds2

About 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one

4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one (PubChem CID 12613592) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one
PubChem CID12613592
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one
SMILESCC(=O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H12N2O2/c1-6-4-7(2)11(5-8(3)12)9(13)10-6/h4H,5H2,1-3H3
InChIKeyKNEZRQDKSNZTMY-UHFFFAOYSA-N
XLogP0.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1,2-Dihydro-4,6-dimethyl-1-propyl-pyrimidin-2-one
CID 12795361
1-Butyl-4,6-dimethyl-2-oxopyrimidine
CID 175647238
4,6-Dimethyl-1,3-dipropylpyrimidin-1-ium-2-one
CID 12097245
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetaldehyde
CID 62016953
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 1711496
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetate
CID 4120140
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 46304521
4,6-Dimethyl-1-(3-oxobutyl)pyrimidin-2-one
CID 62017678
4,6-Dimethyl-1-(4-oxopentyl)pyrimidin-2-one
CID 62018238
1-(3,3-Dimethyl-2-oxobutyl)-4,6-dimethylpyrimidin-2-one
CID 62018242
4,6-Dimethyl-1-(2-oxobutyl)pyrimidin-2-one
CID 62038268

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one (CID 12613592) is 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one is CC(=O)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one?
The InChIKey is KNEZRQDKSNZTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-7(2)11(5-8(3)12)9(13)10-6/h4H,5H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one?
4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2-oxopropyl)pyrimidin-2-one is sourced from PubChem (CID 12613592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).