2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine

C12H16F3N3 — CID 176691071

IUPAC2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine
SMILESCc1nccc(NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3/c1-8-16-7-6-11(17-8)18-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10H,2-5H2,1H3,(H,16,17,18)
InChIKeyUHIWQQOTGFGSHQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.32
Rot. Bonds2

About 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine

2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine (PubChem CID 176691071) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine
PubChem CID176691071
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine
SMILESCc1nccc(NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3/c1-8-16-7-6-11(17-8)18-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10H,2-5H2,1H3,(H,16,17,18)
InChIKeyUHIWQQOTGFGSHQ-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine (CID 176691071) is 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine is Cc1nccc(NC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
The InChIKey is UHIWQQOTGFGSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-8-16-7-6-11(17-8)18-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine?
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine has a molecular weight of 259.27 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-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 176691071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).