3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one

C11H18N2O — CID 163585409

IUPAC3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one
SMILESCCCC(C)c1nc(C)cc(=O)n1C
InChIInChI=1S/C11H18N2O/c1-5-6-8(2)11-12-9(3)7-10(14)13(11)4/h7-8H,5-6H2,1-4H3
InChIKeyGLBDGYWQLDQRLB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds3

About 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one

3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one (PubChem CID 163585409) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one
PubChem CID163585409
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one
SMILESCCCC(C)c1nc(C)cc(=O)n1C
InChIInChI=1S/C11H18N2O/c1-5-6-8(2)11-12-9(3)7-10(14)13(11)4/h7-8H,5-6H2,1-4H3
InChIKeyGLBDGYWQLDQRLB-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
2-methyl-7,8,9,10-tetrahydropyrimido[1,2-a]azepin-4(6H)-one
CID 718922
3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082
3,6-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 13123700
3-Ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
CID 13123701
3-Ethyl-6-methyl-2-propylpyrimidin-4-one
CID 134868748
(7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450671
(7R)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450672
2-(Difluoromethyl)-7-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 137702402
1,6-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 13666605
2,6-Dimethyl-3-(2-methylpropyl)pyrimidin-4-one
CID 67473382

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one (CID 163585409) is 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one is CCCC(C)c1nc(C)cc(=O)n1C.
What is the InChIKey of 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one?
The InChIKey is GLBDGYWQLDQRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-6-8(2)11-12-9(3)7-10(14)13(11)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one?
3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-pentan-2-ylpyrimidin-4-one is sourced from PubChem (CID 163585409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).