5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C7H7ClF3N3O — CID 80858289

IUPAC5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O/c1-12-6-13-2-4(8)5(14-6)15-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14)
InChIKeyAVHBUXIRDIPFTR-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.11
Rot. Bonds3

About 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 80858289) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID80858289
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O/c1-12-6-13-2-4(8)5(14-6)15-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14)
InChIKeyAVHBUXIRDIPFTR-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

3-(2-Amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
CID 122536457
2,5-Dichloro-4-methoxypyrimidine
CID 49761746
5-Bromo-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 60155907
2-Methoxy-4-ethoxy-5-fluoropyrimidine
CID 129785473
5-Chloro-2,4-dimethoxypyrimidine
CID 14270028
5-Chloro-4-methoxypyrimidin-2-amine
CID 79006435
2-Chloro-4-ethoxy-5-fluoropyrimidine
CID 255395
2,5-Dichloro-4-(trifluoromethoxy)pyrimidine
CID 19743223
5-Fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine
CID 23198176
5-Methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
CID 23198178
4-Ethoxy-5-fluoropyrimidine
CID 23198185
2-Chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 59304971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 80858289) is 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is CNc1ncc(Cl)c(OCC(F)(F)F)n1.
What is the InChIKey of 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is AVHBUXIRDIPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-12-6-13-2-4(8)5(14-6)15-3-7(9,10)11/h2H,3H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
5-chloro-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-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-N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80858289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).