4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine

C11H10BrClN4O — CID 80846775

IUPAC4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
SMILESCOc1ccc(Br)c(Nc2nc(N)ncc2Cl)c1
InChIInChI=1S/C11H10BrClN4O/c1-18-6-2-3-7(12)9(4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyYPSCSXMRKYSTON-UHFFFAOYSA-N
MW329.59 g/mol
LogP3.23
Rot. Bonds3

About 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine

4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine (PubChem CID 80846775) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
PubChem CID80846775
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
SMILESCOc1ccc(Br)c(Nc2nc(N)ncc2Cl)c1
InChIInChI=1S/C11H10BrClN4O/c1-18-6-2-3-7(12)9(4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyYPSCSXMRKYSTON-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

3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
CID 79918834
4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
CID 80829921
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
CID 58236347
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334
5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
CID 114261712
4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80847879

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine (CID 80846775) is 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine is COc1ccc(Br)c(Nc2nc(N)ncc2Cl)c1.
What is the InChIKey of 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine?
The InChIKey is YPSCSXMRKYSTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-18-6-2-3-7(12)9(4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine?
4-N-(2-bromo-5-methoxyphenyl)-5-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-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 80846775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).