N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine

C12H18FN3 — CID 115417081

IUPACN-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
SMILESCCC1CCCC(Nc2cc(F)ncn2)C1
InChIInChI=1S/C12H18FN3/c1-2-9-4-3-5-10(6-9)16-12-7-11(13)14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyXRFYWIHVIWWTKH-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.00
Rot. Bonds3

About N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine

N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine (PubChem CID 115417081) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
PubChem CID115417081
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
SMILESCCC1CCCC(Nc2cc(F)ncn2)C1
InChIInChI=1S/C12H18FN3/c1-2-9-4-3-5-10(6-9)16-12-7-11(13)14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyXRFYWIHVIWWTKH-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine (CID 115417081) is N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine is CCC1CCCC(Nc2cc(F)ncn2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine?
The InChIKey is XRFYWIHVIWWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-2-9-4-3-5-10(6-9)16-12-7-11(13)14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine?
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine has a molecular weight of 223.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115417081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).