2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H15ClF3N3 — CID 114562500

IUPAC2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(C(F)(F)F)nc(Cl)n2)CCCCC1
InChIInChI=1S/C12H15ClF3N3/c1-11(5-3-2-4-6-11)19-9-7-8(12(14,15)16)17-10(13)18-9/h7H,2-6H2,1H3,(H,17,18,19)
InChIKeyHNEFQCNZUZESIZ-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.28
Rot. Bonds2

About 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562500) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562500
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(C(F)(F)F)nc(Cl)n2)CCCCC1
InChIInChI=1S/C12H15ClF3N3/c1-11(5-3-2-4-6-11)19-9-7-8(12(14,15)16)17-10(13)18-9/h7H,2-6H2,1H3,(H,17,18,19)
InChIKeyHNEFQCNZUZESIZ-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562500) is 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine is CC1(Nc2cc(C(F)(F)F)nc(Cl)n2)CCCCC1.
What is the InChIKey of 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HNEFQCNZUZESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-11(5-3-2-4-6-11)19-9-7-8(12(14,15)16)17-10(13)18-9/h7H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.72 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).