6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane

C9H13ClF3N3 — CID 177214504

IUPAC6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
SMILESCC.CNc1nc(C(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C7H7ClF3N3.C2H6/c1-3-4(8)13-6(7(9,10)11)14-5(3)12-2;1-2/h1-2H3,(H,12,13,14);1-2H3
InChIKeyGHQHMVRHVGCAJW-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.53
Rot. Bonds1

About 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane

6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane (PubChem CID 177214504) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
PubChem CID177214504
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
SMILESCC.CNc1nc(C(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C7H7ClF3N3.C2H6/c1-3-4(8)13-6(7(9,10)11)14-5(3)12-2;1-2/h1-2H3,(H,12,13,14);1-2H3
InChIKeyGHQHMVRHVGCAJW-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
The IUPAC name of 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane (CID 177214504) is 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane.
What is the SMILES notation for 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
The canonical SMILES for 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane is CC.CNc1nc(C(F)(F)F)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
The InChIKey is GHQHMVRHVGCAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3.C2H6/c1-3-4(8)13-6(7(9,10)11)14-5(3)12-2;1-2/h1-2H3,(H,12,13,14);1-2H3.
What are the key properties of 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane?
6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane has a molecular weight of 255.67 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane is sourced from PubChem (CID 177214504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).