5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C7H7ClF3N3O — CID 80757838

IUPAC5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O/c1-15-6-12-2-4(8)5(14-6)13-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14)
InChIKeyQZXBMLCZKRJQIE-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.11
Rot. Bonds3

About 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80757838) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80757838
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O/c1-15-6-12-2-4(8)5(14-6)13-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14)
InChIKeyQZXBMLCZKRJQIE-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80757838) is 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is COc1ncc(Cl)c(NCC(F)(F)F)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is QZXBMLCZKRJQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-15-6-12-2-4(8)5(14-6)13-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 241.60 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80757838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).