2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine

C11H15ClFN3 — CID 129181883

IUPAC2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCCCC2)c1F
InChIInChI=1S/C11H15ClFN3/c1-7-9(13)10(16-11(12)14-7)15-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,14,15,16)
InChIKeyHGNITCSFUHMGBD-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.32
Rot. Bonds2

About 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine

2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 129181883) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID129181883
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCCCC2)c1F
InChIInChI=1S/C11H15ClFN3/c1-7-9(13)10(16-11(12)14-7)15-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,14,15,16)
InChIKeyHGNITCSFUHMGBD-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine (CID 129181883) is 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(Cl)nc(NC2CCCCC2)c1F.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is HGNITCSFUHMGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-7-9(13)10(16-11(12)14-7)15-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine?
2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 243.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 129181883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).