N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine

C12H18FN3 — CID 115749964

IUPACN-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine
SMILESCCC1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C12H18FN3/c1-2-9-3-5-11(6-4-9)16-12-14-7-10(13)8-15-12/h7-9,11H,2-6H2,1H3,(H,14,15,16)
InChIKeyZPYCGOBOPKBCAI-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.00
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine

N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine (PubChem CID 115749964) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine
PubChem CID115749964
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine
SMILESCCC1CCC(Nc2ncc(F)cn2)CC1
InChIInChI=1S/C12H18FN3/c1-2-9-3-5-11(6-4-9)16-12-14-7-10(13)8-15-12/h7-9,11H,2-6H2,1H3,(H,14,15,16)
InChIKeyZPYCGOBOPKBCAI-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

Analyze N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine (CID 115749964) is N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine is CCC1CCC(Nc2ncc(F)cn2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine?
The InChIKey is ZPYCGOBOPKBCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-2-9-3-5-11(6-4-9)16-12-14-7-10(13)8-15-12/h7-9,11H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine?
N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-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-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 115749964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).