5-chloro-4-(trifluoromethyl)pyrimidin-2-amine

C5H3ClF3N3 — CID 71721078

IUPAC5-chloro-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyCTRPXMJZFLNZKW-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine

5-chloro-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 71721078) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID71721078
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name5-chloro-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChIKeyCTRPXMJZFLNZKW-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine (CID 71721078) is 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CTRPXMJZFLNZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12).
What are the key properties of 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine?
5-chloro-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 197.55 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 71721078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).