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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Related Compounds

5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
CID 104624132
5-chloro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80746872
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol
CID 133472194
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 103353983
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine
CID 80751988
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758459
N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
CID 112700846

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).