3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile

C10H13N3O — CID 43367396

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile
SMILESCc1cc(C)n(CC(C)C#N)c(=O)n1
InChIInChI=1S/C10H13N3O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,6H2,1-3H3
InChIKeyOWTTVMNKHCLKDD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.02
Rot. Bonds2

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile (PubChem CID 43367396) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile
PubChem CID43367396
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile
SMILESCc1cc(C)n(CC(C)C#N)c(=O)n1
InChIInChI=1S/C10H13N3O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,6H2,1-3H3
InChIKeyOWTTVMNKHCLKDD-UHFFFAOYSA-N
XLogP1.02
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile (CID 43367396) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile is Cc1cc(C)n(CC(C)C#N)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile?
The InChIKey is OWTTVMNKHCLKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(5-11)6-13-9(3)4-8(2)12-10(13)14/h4,7H,6H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile has a molecular weight of 191.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 43367396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).