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

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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).