6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine

C17H27FN4 — CID 133418990

IUPAC6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(N3CCCCC3)CC2)c1F
InChIInChI=1S/C17H27FN4/c1-2-15-16(18)17(20-12-19-15)21-13-6-8-14(9-7-13)22-10-4-3-5-11-22/h12-14H,2-11H2,1H3,(H,19,20,21)
InChIKeyKRBNKHMVCUVGEJ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.39
Rot. Bonds4

About 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine (PubChem CID 133418990) has the molecular formula C17H27FN4 and a molecular weight of 306.43 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
PubChem CID133418990
Molecular FormulaC17H27FN4
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCC(N3CCCCC3)CC2)c1F
InChIInChI=1S/C17H27FN4/c1-2-15-16(18)17(20-12-19-15)21-13-6-8-14(9-7-13)22-10-4-3-5-11-22/h12-14H,2-11H2,1H3,(H,19,20,21)
InChIKeyKRBNKHMVCUVGEJ-UHFFFAOYSA-N
XLogP3.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-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

N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045628
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
CID 129007467
N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419833
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
N-(6-ethyl-5-fluoropyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-amine
CID 167872982
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
CID 103880316
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 131900530
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 133419371
N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine
CID 103650743

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine (CID 133418990) is 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine is CCc1ncnc(NC2CCC(N3CCCCC3)CC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine?
The InChIKey is KRBNKHMVCUVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4/c1-2-15-16(18)17(20-12-19-15)21-13-6-8-14(9-7-13)22-10-4-3-5-11-22/h12-14H,2-11H2,1H3,(H,19,20,21).
What are the key properties of 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine has a molecular weight of 306.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 133418990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).