5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine

C11H16FN3 — CID 103826119

IUPAC5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C11H16FN3/c1-8-2-4-10(5-3-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3,(H,13,14,15)
InChIKeyUDOCXHTYNFBYTM-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.61
Rot. Bonds2

About 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine

5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine (PubChem CID 103826119) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine
PubChem CID103826119
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C11H16FN3/c1-8-2-4-10(5-3-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3,(H,13,14,15)
InChIKeyUDOCXHTYNFBYTM-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine (CID 103826119) is 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine is CC1CCC(Nc2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine?
The InChIKey is UDOCXHTYNFBYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8-2-4-10(5-3-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine?
5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine has a molecular weight of 209.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 103826119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).