3-cyclohexyl-6-methylpyrimidin-4-imine

C11H17N3 — CID 174356973

IUPAC3-cyclohexyl-6-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(C)ncn1C1CCCCC1
InChIInChI=1S/C11H17N3/c1-9-7-11(12)14(8-13-9)10-5-3-2-4-6-10/h7-8,10,12H,2-6H2,1H3/b12-11+
InChIKeyPYMCFZURDTYHCJ-VAWYXSNFSA-N
MW191.28 g/mol
LogP2.18
Rot. Bonds1

About 3-cyclohexyl-6-methylpyrimidin-4-imine

3-cyclohexyl-6-methylpyrimidin-4-imine (PubChem CID 174356973) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-cyclohexyl-6-methylpyrimidin-4-imine.

Molecular Properties

Compound Name3-cyclohexyl-6-methylpyrimidin-4-imine
PubChem CID174356973
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-cyclohexyl-6-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(C)ncn1C1CCCCC1
InChIInChI=1S/C11H17N3/c1-9-7-11(12)14(8-13-9)10-5-3-2-4-6-10/h7-8,10,12H,2-6H2,1H3/b12-11+
InChIKeyPYMCFZURDTYHCJ-VAWYXSNFSA-N
XLogP2.18
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-6-methylpyrimidin-4-imine 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-cyclohexyl-6-methylpyrimidin-4-imine?
The IUPAC name of 3-cyclohexyl-6-methylpyrimidin-4-imine (CID 174356973) is 3-cyclohexyl-6-methylpyrimidin-4-imine.
What is the SMILES notation for 3-cyclohexyl-6-methylpyrimidin-4-imine?
The canonical SMILES for 3-cyclohexyl-6-methylpyrimidin-4-imine is [H]/N=c1\cc(C)ncn1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-methylpyrimidin-4-imine?
The InChIKey is PYMCFZURDTYHCJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-7-11(12)14(8-13-9)10-5-3-2-4-6-10/h7-8,10,12H,2-6H2,1H3/b12-11+.
What are the key properties of 3-cyclohexyl-6-methylpyrimidin-4-imine?
3-cyclohexyl-6-methylpyrimidin-4-imine has a molecular weight of 191.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methylpyrimidin-4-imine is sourced from PubChem (CID 174356973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).