5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine

C11H10BrClN4 — CID 121006304

IUPAC5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(Nc2ccccc2Cl)c1Br
InChIInChI=1S/C11H10BrClN4/c1-6-9(12)10(17-11(14)15-6)16-8-5-3-2-4-7(8)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyZOLSZLXTCUFWPE-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.53
Rot. Bonds2

About 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine

5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 121006304) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID121006304
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(Nc2ccccc2Cl)c1Br
InChIInChI=1S/C11H10BrClN4/c1-6-9(12)10(17-11(14)15-6)16-8-5-3-2-4-7(8)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyZOLSZLXTCUFWPE-UHFFFAOYSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 104506339
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
CID 87457442
4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103481983
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 170546795
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine (CID 121006304) is 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(Nc2ccccc2Cl)c1Br.
What is the InChIKey of 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZOLSZLXTCUFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-6-9(12)10(17-11(14)15-6)16-8-5-3-2-4-7(8)13/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 313.59 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 121006304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).