5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine

C12H11BrClN3O2 — CID 66340346

IUPAC5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2ncncc2Br)c(OC)cc1Cl
InChIInChI=1S/C12H11BrClN3O2/c1-18-10-4-9(11(19-2)3-8(10)14)17-12-7(13)5-15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKLORXDWZPHLGJS-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.65
Rot. Bonds4

About 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine

5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine (PubChem CID 66340346) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
PubChem CID66340346
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC Name5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2ncncc2Br)c(OC)cc1Cl
InChIInChI=1S/C12H11BrClN3O2/c1-18-10-4-9(11(19-2)3-8(10)14)17-12-7(13)5-15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKLORXDWZPHLGJS-UHFFFAOYSA-N
XLogP3.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
CID 79532276
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80911429
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethylpyridazin-3-amine
CID 63271923
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
CID 61373201
2-[(5-bromopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107469799
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532128
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80749225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine (CID 66340346) is 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine is COc1cc(Nc2ncncc2Br)c(OC)cc1Cl.
What is the InChIKey of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is KLORXDWZPHLGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-18-10-4-9(11(19-2)3-8(10)14)17-12-7(13)5-15-6-16-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine?
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 344.60 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66340346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).