6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C7H7ClF3N3 — CID 62481119

IUPAC6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3/c1-4-13-5(8)2-6(14-4)12-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14)
InChIKeyKQNJTQBOBRXMGG-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.41
Rot. Bonds2

About 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 62481119) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID62481119
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3/c1-4-13-5(8)2-6(14-4)12-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14)
InChIKeyKQNJTQBOBRXMGG-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 62481119) is 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NCC(F)(F)F)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is KQNJTQBOBRXMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-4-13-5(8)2-6(14-4)12-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 225.60 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 62481119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).