N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine

C11H16FN3 — CID 71099772

IUPACN-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine
SMILESF[C@@H]1CCCC[C@@H]1CNc1ncccn1
InChIInChI=1S/C11H16FN3/c12-10-5-2-1-4-9(10)8-15-11-13-6-3-7-14-11/h3,6-7,9-10H,1-2,4-5,8H2,(H,13,14,15)/t9-,10-/m1/s1
InChIKeyDWJWLBJGALHTCN-NXEZZACHSA-N
MW209.27 g/mol
LogP2.42
Rot. Bonds3

About N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine

N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine (PubChem CID 71099772) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine
PubChem CID71099772
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC NameN-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine
SMILESF[C@@H]1CCCC[C@@H]1CNc1ncccn1
InChIInChI=1S/C11H16FN3/c12-10-5-2-1-4-9(10)8-15-11-13-6-3-7-14-11/h3,6-7,9-10H,1-2,4-5,8H2,(H,13,14,15)/t9-,10-/m1/s1
InChIKeyDWJWLBJGALHTCN-NXEZZACHSA-N
XLogP2.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-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-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine (CID 71099772) is N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine is F[C@@H]1CCCC[C@@H]1CNc1ncccn1.
What is the InChIKey of N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine?
The InChIKey is DWJWLBJGALHTCN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16FN3/c12-10-5-2-1-4-9(10)8-15-11-13-6-3-7-14-11/h3,6-7,9-10H,1-2,4-5,8H2,(H,13,14,15)/t9-,10-/m1/s1.
What are the key properties of N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine?
N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine has a molecular weight of 209.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-fluorocyclohexyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 71099772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).