N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H20F3N5 — CID 44821433

IUPACN-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H20F3N5/c1-10-12(9-24(2)23-10)13-8-14(16(17,18)19)22-15(21-13)20-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyKGBRXGQVGDUOSI-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.95
Rot. Bonds3

About N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821433) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821433
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC NameN-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H20F3N5/c1-10-12(9-24(2)23-10)13-8-14(16(17,18)19)22-15(21-13)20-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyKGBRXGQVGDUOSI-UHFFFAOYSA-N
XLogP3.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821433) is N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KGBRXGQVGDUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-10-12(9-24(2)23-10)13-8-14(16(17,18)19)22-15(21-13)20-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 339.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).