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

C11H7BrCl3N3O — CID 107792305

IUPACN-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H7BrCl3N3O/c1-19-9-10(15)16-4-17-11(9)18-6-3-2-5(12)7(13)8(6)14/h2-4H,1H3,(H,16,17,18)
InChIKeyLRVYKBXDICYOJL-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.95
Rot. Bonds3

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

N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine (PubChem CID 107792305) has the molecular formula C11H7BrCl3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
PubChem CID107792305
Molecular FormulaC11H7BrCl3N3O
Molecular Weight383.46 g/mol
Exact Mass380.88
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H7BrCl3N3O/c1-19-9-10(15)16-4-17-11(9)18-6-3-2-5(12)7(13)8(6)14/h2-4H,1H3,(H,16,17,18)
InChIKeyLRVYKBXDICYOJL-UHFFFAOYSA-N
XLogP4.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107636954
N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 104724894
4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
CID 107786960
4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107794917
N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107792312
(2S,3S,4S,5S)-2-[4-(4-bromo-2,3-dichloroanilino)-6-methoxyquinazolin-7-yl]oxy-5-methoxyhexane-1,3,4,6-tetrol
CID 141243530
2-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002701
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
CID 114001533
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
7-[[(3S,3aR,6S,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(4-bromo-2,3-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 66954887
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine (CID 107792305) is N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine is COc1c(Cl)ncnc1Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine?
The InChIKey is LRVYKBXDICYOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl3N3O/c1-19-9-10(15)16-4-17-11(9)18-6-3-2-5(12)7(13)8(6)14/h2-4H,1H3,(H,16,17,18).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine?
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine has a molecular weight of 383.46 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107792305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).