2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one

C12H18N2O2 — CID 106801775

IUPAC2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one
SMILESCCC(=O)CCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H18N2O2/c1-4-11(15)6-5-7-14-10(3)13-9(2)8-12(14)16/h8H,4-7H2,1-3H3
InChIKeySZPRKHWYRUQKIX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.62
Rot. Bonds5

About 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one

2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one (PubChem CID 106801775) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one
PubChem CID106801775
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one
SMILESCCC(=O)CCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H18N2O2/c1-4-11(15)6-5-7-14-10(3)13-9(2)8-12(14)16/h8H,4-7H2,1-3H3
InChIKeySZPRKHWYRUQKIX-UHFFFAOYSA-N
XLogP1.62
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-decyl-2,6-dimethylpyrimidin-4-one
CID 175080397
3-(3-ethylsulfanylpropyl)-2,6-dimethylpyrimidin-4-one
CID 104863729
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794210
3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 96672369
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanal
CID 63768681
5-iodo-2-methyl-3-(4-oxohexyl)pyrimidin-4-one
CID 106801814
methyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 63768646
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
CID 103934813
3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one
CID 63770039
3-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-2,6-dimethylpyrimidin-4-one
CID 63769730
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one (CID 106801775) is 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one is CCC(=O)CCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one?
The InChIKey is SZPRKHWYRUQKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-11(15)6-5-7-14-10(3)13-9(2)8-12(14)16/h8H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one?
2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one is sourced from PubChem (CID 106801775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).