4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C7H7ClF3N3O — CID 164908395

IUPAC4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(Cl)c1CC(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-15-5-3(2-7(9,10)11)4(8)13-6(12)14-5/h2H2,1H3,(H2,12,13,14)
InChIKeyHJMCNMXQGRJSOC-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.83
Rot. Bonds2

About 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine

4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 164908395) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID164908395
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(Cl)c1CC(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-15-5-3(2-7(9,10)11)4(8)13-6(12)14-5/h2H2,1H3,(H2,12,13,14)
InChIKeyHJMCNMXQGRJSOC-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 164908395) is 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine is COc1nc(N)nc(Cl)c1CC(F)(F)F.
What is the InChIKey of 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is HJMCNMXQGRJSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-15-5-3(2-7(9,10)11)4(8)13-6(12)14-5/h2H2,1H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 241.60 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 164908395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).