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

C11H10BrClN4O — CID 81263462

IUPAC4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(Nc2cc(Cl)ccc2Br)c1N
InChIInChI=1S/C11H10BrClN4O/c1-18-11-9(14)10(15-5-16-11)17-8-4-6(13)2-3-7(8)12/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyNQHYRTOCPDSZCB-UHFFFAOYSA-N
MW329.59 g/mol
LogP3.23
Rot. Bonds3

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

4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine (PubChem CID 81263462) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
PubChem CID81263462
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(Nc2cc(Cl)ccc2Br)c1N
InChIInChI=1S/C11H10BrClN4O/c1-18-11-9(14)10(15-5-16-11)17-8-4-6(13)2-3-7(8)12/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyNQHYRTOCPDSZCB-UHFFFAOYSA-N
XLogP3.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547356
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
CID 104725895
4-N-(2,5-dichlorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19146760
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 81272535
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine (CID 81263462) is 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine is COc1ncnc(Nc2cc(Cl)ccc2Br)c1N.
What is the InChIKey of 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine?
The InChIKey is NQHYRTOCPDSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-18-11-9(14)10(15-5-16-11)17-8-4-6(13)2-3-7(8)12/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine?
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine has a molecular weight of 329.59 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 81263462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).