N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

C15H15BrClN3O — CID 80979347

IUPACN-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCOc1ccc(Br)cc1Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H15BrClN3O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-11-7-10(16)5-6-12(11)21-2/h5-7,9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyHYGWOKMCONBIDA-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.83
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80979347) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80979347
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCOc1ccc(Br)cc1Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H15BrClN3O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-11-7-10(16)5-6-12(11)21-2/h5-7,9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyHYGWOKMCONBIDA-UHFFFAOYSA-N
XLogP4.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
4-(5-bromo-2-methoxyanilino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 80732122
6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979147
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974359

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80979347) is N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is COc1ccc(Br)cc1Nc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is HYGWOKMCONBIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-8-13(17)19-15(9-3-4-9)20-14(8)18-11-7-10(16)5-6-12(11)21-2/h5-7,9H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 368.66 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80979347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).