4-chloro-6-(trifluoromethyl)pyrimidin-5-amine

C5H3ClF3N3 — CID 131010944

IUPAC4-chloro-6-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1C(F)(F)F
InChIInChI=1S/C5H3ClF3N3/c6-4-2(10)3(5(7,8)9)11-1-12-4/h1H,10H2
InChIKeyIIMGUOPNZCLVHU-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine

4-chloro-6-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 131010944) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)pyrimidin-5-amine
PubChem CID131010944
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name4-chloro-6-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1C(F)(F)F
InChIInChI=1S/C5H3ClF3N3/c6-4-2(10)3(5(7,8)9)11-1-12-4/h1H,10H2
InChIKeyIIMGUOPNZCLVHU-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 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine (CID 131010944) is 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine is Nc1c(Cl)ncnc1C(F)(F)F.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is IIMGUOPNZCLVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-4-2(10)3(5(7,8)9)11-1-12-4/h1H,10H2.
What are the key properties of 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine?
4-chloro-6-(trifluoromethyl)pyrimidin-5-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 4-chloro-6-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 131010944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).