2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine

C10H4Cl2F3N3 — CID 83087621

IUPAC2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine
SMILESFc1cc(F)c(Nc2nc(Cl)ncc2F)c(Cl)c1
InChIInChI=1S/C10H4Cl2F3N3/c11-5-1-4(13)2-6(14)8(5)17-9-7(15)3-16-10(12)18-9/h1-3H,(H,16,17,18)
InChIKeyLKKRYEAUIIRXCW-UHFFFAOYSA-N
MW294.06 g/mol
LogP3.94
Rot. Bonds2

About 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine

2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine (PubChem CID 83087621) has the molecular formula C10H4Cl2F3N3 and a molecular weight of 294.06 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine
PubChem CID83087621
Molecular FormulaC10H4Cl2F3N3
Molecular Weight294.06 g/mol
Exact Mass292.97
IUPAC Name2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine
SMILESFc1cc(F)c(Nc2nc(Cl)ncc2F)c(Cl)c1
InChIInChI=1S/C10H4Cl2F3N3/c11-5-1-4(13)2-6(14)8(5)17-9-7(15)3-16-10(12)18-9/h1-3H,(H,16,17,18)
InChIKeyLKKRYEAUIIRXCW-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.06
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(2-chloro-5-fluoropyrimidin-4-yl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 79076620
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
3-bromo-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 114837355
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
2,5-dichloro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 79632308
4-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3,5-difluorophenyl]benzonitrile
CID 170694471
5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 83088172
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile
CID 83087195
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 83082645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine (CID 83087621) is 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine is Fc1cc(F)c(Nc2nc(Cl)ncc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine?
The InChIKey is LKKRYEAUIIRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N3/c11-5-1-4(13)2-6(14)8(5)17-9-7(15)3-16-10(12)18-9/h1-3H,(H,16,17,18).
What are the key properties of 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine has a molecular weight of 294.06 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 83087621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).