4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine

C7H7ClF3N3O — CID 175471200

IUPAC4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(Cl)c1C(F)C(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-15-6-2(3(9)5(10)11)4(8)13-7(12)14-6/h3,5H,1H3,(H2,12,13,14)
InChIKeyKXRHFGMCTYRDOJ-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.00
Rot. Bonds3

About 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine

4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 175471200) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID175471200
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(Cl)c1C(F)C(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-15-6-2(3(9)5(10)11)4(8)13-7(12)14-6/h3,5H,1H3,(H2,12,13,14)
InChIKeyKXRHFGMCTYRDOJ-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 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 ≤ 52.00
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-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine (CID 175471200) is 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine is COc1nc(N)nc(Cl)c1C(F)C(F)F.
What is the InChIKey of 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is KXRHFGMCTYRDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-15-6-2(3(9)5(10)11)4(8)13-7(12)14-6/h3,5H,1H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine?
4-chloro-6-methoxy-5-(1,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 241.60 g/mol, XLogP of 2.00, 3 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-(1,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 175471200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).