[2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C12H16F3N3 — CID 114205964

IUPAC[2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-9(6-16)7-17-11(18-10)8-4-2-1-3-5-8/h7-8H,1-6,16H2
InChIKeyLWSFXHNVSVNZSY-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.00
Rot. Bonds2

About [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114205964) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114205964
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name[2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-9(6-16)7-17-11(18-10)8-4-2-1-3-5-8/h7-8H,1-6,16H2
InChIKeyLWSFXHNVSVNZSY-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114205964) is [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is NCc1cnc(C2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is LWSFXHNVSVNZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)10-9(6-16)7-17-11(18-10)8-4-2-1-3-5-8/h7-8H,1-6,16H2.
What are the key properties of [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).