4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine

C10H8BrClN4 — CID 103481957

IUPAC4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C10H8BrClN4/c11-9-6(12)2-1-3-7(9)15-8-4-5-14-10(13)16-8/h1-5H,(H3,13,14,15,16)
InChIKeyBHHHKTOFZRPXQO-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.22
Rot. Bonds2

About 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine

4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine (PubChem CID 103481957) has the molecular formula C10H8BrClN4 and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
PubChem CID103481957
Molecular FormulaC10H8BrClN4
Molecular Weight299.56 g/mol
Exact Mass297.96
IUPAC Name4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cccc(Cl)c2Br)n1
InChIInChI=1S/C10H8BrClN4/c11-9-6(12)2-1-3-7(9)15-8-4-5-14-10(13)16-8/h1-5H,(H3,13,14,15,16)
InChIKeyBHHHKTOFZRPXQO-UHFFFAOYSA-N
XLogP3.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
CID 103477533
4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 80761249
4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
CID 103481973
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107531781
4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 104728696
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
CID 143557825
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
CID 103481300
4-N-(1H-isoindol-4-yl)pyrimidine-2,4-diamine
CID 158484232
3-[(2-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80851663
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine (CID 103481957) is 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine is Nc1nccc(Nc2cccc(Cl)c2Br)n1.
What is the InChIKey of 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is BHHHKTOFZRPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4/c11-9-6(12)2-1-3-7(9)15-8-4-5-14-10(13)16-8/h1-5H,(H3,13,14,15,16).
What are the key properties of 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine?
4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 299.56 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-3-chlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103481957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).