4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine

C10H6ClF2N3 — CID 115504839

IUPAC4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C10H6ClF2N3/c11-6-1-5(2-7(12)3-6)9-8(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyDZEDHUHVEWDYGT-UHFFFAOYSA-N
MW241.63 g/mol
LogP2.66
Rot. Bonds1

About 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine

4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine (PubChem CID 115504839) has the molecular formula C10H6ClF2N3 and a molecular weight of 241.63 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
PubChem CID115504839
Molecular FormulaC10H6ClF2N3
Molecular Weight241.63 g/mol
Exact Mass241.02
IUPAC Name4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C10H6ClF2N3/c11-6-1-5(2-7(12)3-6)9-8(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyDZEDHUHVEWDYGT-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
CID 115504800
5-(3-chloro-5-fluorophenyl)-3-fluoropyridin-2-amine
CID 175669976
4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine
CID 114454482
4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
CID 115504031
6-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 115504598
2-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 116795301
2-chloro-6-(3-chloro-5-fluorophenyl)pyrazine
CID 115504735
4-(3-chloro-5-fluorophenyl)-2-cyclohexyl-1,3-thiazol-5-amine
CID 114454504
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 115504863
4-[1-(difluoromethyl)pyrazol-4-yl]-5-fluoropyrimidin-2-amine
CID 171659610

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine (CID 115504839) is 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine?
The InChIKey is DZEDHUHVEWDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3/c11-6-1-5(2-7(12)3-6)9-8(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine?
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine has a molecular weight of 241.63 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 115504839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).