4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine

C10H6Cl2FN3 — CID 175606408

IUPAC4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H6Cl2FN3/c11-5-1-2-6(7(13)3-5)8-4-9(12)16-10(14)15-8/h1-4H,(H2,14,15,16)
InChIKeyQDFJNLRMVCIJPS-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.17
Rot. Bonds1

About 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine

4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine (PubChem CID 175606408) has the molecular formula C10H6Cl2FN3 and a molecular weight of 258.08 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
PubChem CID175606408
Molecular FormulaC10H6Cl2FN3
Molecular Weight258.08 g/mol
Exact Mass256.99
IUPAC Name4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H6Cl2FN3/c11-5-1-2-6(7(13)3-5)8-4-9(12)16-10(14)15-8/h1-4H,(H2,14,15,16)
InChIKeyQDFJNLRMVCIJPS-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
CID 141218795
4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
CID 90189205
4-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloropyrimidin-2-amine
CID 86004364
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 115915006
4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine
CID 59104281
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
CID 143206145
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
CID 155169736
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
CID 86004376
4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
CID 86004337
methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
CID 71150711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine (CID 175606408) is 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine is Nc1nc(Cl)cc(-c2ccc(Cl)cc2F)n1.
What is the InChIKey of 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine?
The InChIKey is QDFJNLRMVCIJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3/c11-5-1-2-6(7(13)3-5)8-4-9(12)16-10(14)15-8/h1-4H,(H2,14,15,16).
What are the key properties of 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine?
4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine has a molecular weight of 258.08 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 175606408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).