N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine

C12H11BrClN3O — CID 107636954

IUPACN-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1Nc1cccc(Br)c1C
InChIInChI=1S/C12H11BrClN3O/c1-7-8(13)4-3-5-9(7)17-12-10(18-2)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQGKGIRLUVXYFSG-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.95
Rot. Bonds3

About N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine

N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine (PubChem CID 107636954) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
PubChem CID107636954
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC NameN-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1Nc1cccc(Br)c1C
InChIInChI=1S/C12H11BrClN3O/c1-7-8(13)4-3-5-9(7)17-12-10(18-2)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQGKGIRLUVXYFSG-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107792305
N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 104724894
2-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002701
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
CID 107636993
(2S,3R,4S,5S)-1-[4-(3-bromo-2-methylanilino)-6-methoxyquinazolin-7-yl]-5-methoxyhexane-1,2,3,4,6-pentol
CID 140867560
6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 63734039

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine (CID 107636954) is N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine is COc1c(Cl)ncnc1Nc1cccc(Br)c1C.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The InChIKey is QGKGIRLUVXYFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7-8(13)4-3-5-9(7)17-12-10(18-2)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine has a molecular weight of 328.60 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107636954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).