4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine

C10H8BrClN4 — CID 80772607

IUPAC4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Br)cc2Cl)ncn1
InChIInChI=1S/C10H8BrClN4/c11-6-1-2-8(7(12)3-6)16-10-4-9(13)14-5-15-10/h1-5H,(H3,13,14,15,16)
InChIKeyHEVFBIYZXVVGPD-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.22
Rot. Bonds2

About 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine

4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine (PubChem CID 80772607) has the molecular formula C10H8BrClN4 and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
PubChem CID80772607
Molecular FormulaC10H8BrClN4
Molecular Weight299.56 g/mol
Exact Mass297.96
IUPAC Name4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc(Br)cc2Cl)ncn1
InChIInChI=1S/C10H8BrClN4/c11-6-1-2-8(7(12)3-6)16-10-4-9(13)14-5-15-10/h1-5H,(H3,13,14,15,16)
InChIKeyHEVFBIYZXVVGPD-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

4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
CID 89380661
3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
CID 102985399
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80919851
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
3-[(6-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80852551
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid
CID 107372315
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80772789

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine (CID 80772607) is 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine is Nc1cc(Nc2ccc(Br)cc2Cl)ncn1.
What is the InChIKey of 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is HEVFBIYZXVVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4/c11-6-1-2-8(7(12)3-6)16-10-4-9(13)14-5-15-10/h1-5H,(H3,13,14,15,16).
What are the key properties of 4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine?
4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-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-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80772607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).