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

C10H13ClFN3 — CID 155905158

IUPAC5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine
SMILESF[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1
InChIInChI=1S/C10H13ClFN3/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h5-6,8-9H,1-4H2,(H,13,14,15)/t8-,9-/m1/s1
InChIKeyMPMDOMSXPXLTSE-RKDXNWHRSA-N
MW229.69 g/mol
LogP2.82
Rot. Bonds2

About 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine

5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine (PubChem CID 155905158) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine
PubChem CID155905158
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine
SMILESF[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1
InChIInChI=1S/C10H13ClFN3/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h5-6,8-9H,1-4H2,(H,13,14,15)/t8-,9-/m1/s1
InChIKeyMPMDOMSXPXLTSE-RKDXNWHRSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,8aR)-N-(5-chloropyrimidin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 97159889
5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
CID 126987815
N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
CID 106365718
5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine
CID 103724840
N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
CID 106365543
5-fluoro-N-(2-fluorocyclopentyl)pyridin-2-amine
CID 126856427
5-methyl-N-(2-methylcyclohexyl)pyrimidin-2-amine
CID 63208068
2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
CID 130654011
5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
CID 131052459
6-chloro-N-[(1S,2R)-2-fluorocyclopentyl]pyridin-2-amine
CID 131160215
5-chloro-N-(2-cyclopentylethyl)pyrimidin-2-amine
CID 79555365
N-(2-fluorocyclopentyl)-3-methylpyrazin-2-amine
CID 126856431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine (CID 155905158) is 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine is F[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine?
The InChIKey is MPMDOMSXPXLTSE-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H13ClFN3/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h5-6,8-9H,1-4H2,(H,13,14,15)/t8-,9-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine?
5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine has a molecular weight of 229.69 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2R)-2-fluorocyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 155905158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).