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

C12H10BrCl2N3O — CID 104724894

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C12H10BrCl2N3O/c1-6-3-7(13)9(4-8(6)14)18-12-10(19-2)11(15)16-5-17-12/h3-5H,1-2H3,(H,16,17,18)
InChIKeyZFORUNHOOALUFI-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.61
Rot. Bonds3

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

N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine (PubChem CID 104724894) has the molecular formula C12H10BrCl2N3O and a molecular weight of 363.04 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
PubChem CID104724894
Molecular FormulaC12H10BrCl2N3O
Molecular Weight363.04 g/mol
Exact Mass360.94
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C12H10BrCl2N3O/c1-6-3-7(13)9(4-8(6)14)18-12-10(19-2)11(15)16-5-17-12/h3-5H,1-2H3,(H,16,17,18)
InChIKeyZFORUNHOOALUFI-UHFFFAOYSA-N
XLogP4.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107636954
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107792305
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104722386
4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
CID 104725895
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine
CID 104724853
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 104724896
2-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002701
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 104725527
1-N-(2-bromo-5-chloro-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 104722286
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine (CID 104724894) is N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine is COc1c(Cl)ncnc1Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The InChIKey is ZFORUNHOOALUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O/c1-6-3-7(13)9(4-8(6)14)18-12-10(19-2)11(15)16-5-17-12/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine has a molecular weight of 363.04 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 104724894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).