2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine

C10H13ClFN3 — CID 142787234

IUPAC2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine
SMILESNc1nc(Cl)nc(C2CCCCC2)c1F
InChIInChI=1S/C10H13ClFN3/c11-10-14-8(7(12)9(13)15-10)6-4-2-1-3-5-6/h6H,1-5H2,(H2,13,14,15)
InChIKeyFJKRXTCQRXATKR-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.90
Rot. Bonds1

About 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine

2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine (PubChem CID 142787234) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine
PubChem CID142787234
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine
SMILESNc1nc(Cl)nc(C2CCCCC2)c1F
InChIInChI=1S/C10H13ClFN3/c11-10-14-8(7(12)9(13)15-10)6-4-2-1-3-5-6/h6H,1-5H2,(H2,13,14,15)
InChIKeyFJKRXTCQRXATKR-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine (CID 142787234) is 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine is Nc1nc(Cl)nc(C2CCCCC2)c1F.
What is the InChIKey of 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine?
The InChIKey is FJKRXTCQRXATKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c11-10-14-8(7(12)9(13)15-10)6-4-2-1-3-5-6/h6H,1-5H2,(H2,13,14,15).
What are the key properties of 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine?
2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine has a molecular weight of 229.69 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclohexyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 142787234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).