5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine

C12H11BrClN3O2 — CID 114071661

IUPAC5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc(Cl)c2Br)cc1OC
InChIInChI=1S/C12H11BrClN3O2/c1-18-8-4-3-7(5-9(8)19-2)17-12-10(13)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKIQACLCEFWGNSK-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.65
Rot. Bonds4

About 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine

5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine (PubChem CID 114071661) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine
PubChem CID114071661
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC Name5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc(Cl)c2Br)cc1OC
InChIInChI=1S/C12H11BrClN3O2/c1-18-8-4-3-7(5-9(8)19-2)17-12-10(13)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKIQACLCEFWGNSK-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

6-chloro-N-(3,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62101180
N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 82859794
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426983
N-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435174
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 57422578
5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine
CID 114071767
6-chloro-N-(4-methoxy-3-methylphenyl)-5-nitropyrimidin-4-amine
CID 62100549
6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 63728931
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(3,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 2960174
4-N-(3-chloro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80763406

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine (CID 114071661) is 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine is COc1ccc(Nc2ncnc(Cl)c2Br)cc1OC.
What is the InChIKey of 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is KIQACLCEFWGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-18-8-4-3-7(5-9(8)19-2)17-12-10(13)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine?
5-bromo-6-chloro-N-(3,4-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-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 114071661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).