6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C7H7ClF3N3 — CID 61277353

IUPAC6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCN(CC(F)(F)F)c1cc(Cl)ncn1
InChIInChI=1S/C7H7ClF3N3/c1-14(3-7(9,10)11)6-2-5(8)12-4-13-6/h2,4H,3H2,1H3
InChIKeyCMUQNHSDLVFVHN-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.13
Rot. Bonds2

About 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 61277353) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID61277353
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCN(CC(F)(F)F)c1cc(Cl)ncn1
InChIInChI=1S/C7H7ClF3N3/c1-14(3-7(9,10)11)6-2-5(8)12-4-13-6/h2,4H,3H2,1H3
InChIKeyCMUQNHSDLVFVHN-UHFFFAOYSA-N
XLogP2.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
4,6-Dichloropyrimidine
CID 70943
4-Amino-6-chloropyrimidine
CID 238012
6-chloro-N-methylpyrimidin-4-amine
CID 309479
4-Chloro-6-piperidin-1-ylpyrimidine
CID 597870
4-Chloro-6-(pyrrolidin-1-yl)pyrimidine
CID 22309524
6-chloro-N,N-dimethylpyrimidin-4-amine
CID 13869568
2,4-Pyrimidinediamine, 6-chloro-N,N,N',N'-tetramethyl-
CID 136757
6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 245271
4,6-Dichloro-2-trifluoromethylpyrimidine
CID 15713197
4-Chloro-6-(isopropylamino)pyrimidine
CID 21749030
4-Chloro-2-methylpyrimidine
CID 424447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 61277353) is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CN(CC(F)(F)F)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is CMUQNHSDLVFVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-14(3-7(9,10)11)6-2-5(8)12-4-13-6/h2,4H,3H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 225.60 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 61277353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).