5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine

C10H5ClF3N3 — CID 114049719

IUPAC5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESNc1ncnc(-c2c(F)cc(F)cc2F)c1Cl
InChIInChI=1S/C10H5ClF3N3/c11-8-9(16-3-17-10(8)15)7-5(13)1-4(12)2-6(7)14/h1-3H,(H2,15,16,17)
InChIKeyMGRGHWAWVIUSME-UHFFFAOYSA-N
MW259.62 g/mol
LogP2.80
Rot. Bonds1

About 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine

5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine (PubChem CID 114049719) has the molecular formula C10H5ClF3N3 and a molecular weight of 259.62 g/mol. Its IUPAC name is 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine
PubChem CID114049719
Molecular FormulaC10H5ClF3N3
Molecular Weight259.62 g/mol
Exact Mass259.01
IUPAC Name5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESNc1ncnc(-c2c(F)cc(F)cc2F)c1Cl
InChIInChI=1S/C10H5ClF3N3/c11-8-9(16-3-17-10(8)15)7-5(13)1-4(12)2-6(7)14/h1-3H,(H2,15,16,17)
InChIKeyMGRGHWAWVIUSME-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.62
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
CID 115504800
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine
CID 130602628
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
5-chloro-4-N-(3,5-dichloro-4-fluorophenyl)pyrimidine-4,6-diamine
CID 114049905
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine
CID 107920558
6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681459
5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine
CID 175669976
2-chloro-1,3,5-trifluorobenzene;tetrafluoro-λ4-sulfane
CID 162247264
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine (CID 114049719) is 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine is Nc1ncnc(-c2c(F)cc(F)cc2F)c1Cl.
What is the InChIKey of 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is MGRGHWAWVIUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3/c11-8-9(16-3-17-10(8)15)7-5(13)1-4(12)2-6(7)14/h1-3H,(H2,15,16,17).
What are the key properties of 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 259.62 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 114049719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).