4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine

C11H10BrClN4O — CID 78955869

IUPAC4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(Cl)nc(N)n2)cc1Br
InChIInChI=1S/C11H10BrClN4O/c1-18-8-3-2-6(4-7(8)12)15-10-5-9(13)16-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyXIMXNKYCXJSTHT-UHFFFAOYSA-N
MW329.59 g/mol
LogP3.23
Rot. Bonds3

About 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine

4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine (PubChem CID 78955869) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
PubChem CID78955869
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(Cl)nc(N)n2)cc1Br
InChIInChI=1S/C11H10BrClN4O/c1-18-8-3-2-6(4-7(8)12)15-10-5-9(13)16-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyXIMXNKYCXJSTHT-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

4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83156364
4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine (CID 78955869) is 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine is COc1ccc(Nc2cc(Cl)nc(N)n2)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine?
The InChIKey is XIMXNKYCXJSTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-18-8-3-2-6(4-7(8)12)15-10-5-9(13)16-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine?
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-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-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 78955869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).