6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine

C10H6BrClFN3 — CID 107368865

IUPAC6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Cl)cc(Nc2cc(Br)ncn2)c1
InChIInChI=1S/C10H6BrClFN3/c11-9-4-10(15-5-14-9)16-8-2-6(12)1-7(13)3-8/h1-5H,(H,14,15,16)
InChIKeyYQGPQUZSURWPEX-UHFFFAOYSA-N
MW302.53 g/mol
LogP3.78
Rot. Bonds2

About 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine

6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine (PubChem CID 107368865) has the molecular formula C10H6BrClFN3 and a molecular weight of 302.53 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
PubChem CID107368865
Molecular FormulaC10H6BrClFN3
Molecular Weight302.53 g/mol
Exact Mass300.94
IUPAC Name6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Cl)cc(Nc2cc(Br)ncn2)c1
InChIInChI=1S/C10H6BrClFN3/c11-9-4-10(15-5-14-9)16-8-2-6(12)1-7(13)3-8/h1-5H,(H,14,15,16)
InChIKeyYQGPQUZSURWPEX-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
5-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107370354
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
6-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107368827
4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107371100
6-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107602238
4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 107371108
4-N-[3-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 116701008
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107371208
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine (CID 107368865) is 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine is Fc1cc(Cl)cc(Nc2cc(Br)ncn2)c1.
What is the InChIKey of 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
The InChIKey is YQGPQUZSURWPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3/c11-9-4-10(15-5-14-9)16-8-2-6(12)1-7(13)3-8/h1-5H,(H,14,15,16).
What are the key properties of 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine?
6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine has a molecular weight of 302.53 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-5-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 107368865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).