N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine

C13H20FN3 — CID 103703544

IUPACN-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)(C)CC2)c1F
InChIInChI=1S/C13H20FN3/c1-9-11(14)12(16-8-15-9)17-10-4-6-13(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyWDEQHBCSTVESRG-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine

N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 103703544) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID103703544
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(C)(C)CC2)c1F
InChIInChI=1S/C13H20FN3/c1-9-11(14)12(16-8-15-9)17-10-4-6-13(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyWDEQHBCSTVESRG-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-pentafluoroethylpyrimidine
CID 22097428
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429
N-[4-(2,2-difluoropropyl)cyclohexyl]-2,5,6-trimethylpyrimidin-4-amine
CID 59943477
6-ethyl-5-fluoro-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 103867425
2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine
CID 129181883
cis-(1R,3S)-1-N-[5-fluoro-2-(2-fluoroethyl)-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine
CID 137494569
N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 141374951
4-(2-Ethylpiperidin-1-yl)-5-fluoro-6-methylpyrimidine
CID 142964903
cis-(1R,3S)-1-N-(2-chloro-5-fluoro-6-methylpyrimidin-4-yl)-3-N-methylcyclohexane-1,3-diamine
CID 146531070

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 103703544) is N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NC2CCC(C)(C)CC2)c1F.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is WDEQHBCSTVESRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-9-11(14)12(16-8-15-9)17-10-4-6-13(2,3)7-5-10/h8,10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine?
N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103703544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).