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2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine

C13H17ClF3N3 — CID 114562759

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(C)CCCCC1Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C13H17ClF3N3/c1-12(2)6-4-3-5-8(12)18-10-7-9(13(15,16)17)19-11(14)20-10/h7-8H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyBVBIZOICLRTJGF-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.53
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562759) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562759
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(C)CCCCC1Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C13H17ClF3N3/c1-12(2)6-4-3-5-8(12)18-10-7-9(13(15,16)17)19-11(14)20-10/h7-8H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyBVBIZOICLRTJGF-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562759) is 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine is CC1(C)CCCCC1Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BVBIZOICLRTJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-12(2)6-4-3-5-8(12)18-10-7-9(13(15,16)17)19-11(14)20-10/h7-8H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 307.75 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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