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

C15H15BrClN3 — CID 107576919

IUPACN-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C15H15BrClN3/c1-8-5-11(16)7-12(6-8)18-14-9(2)13(17)19-15(20-14)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyBCSJLHWOGGUNSH-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.13
Rot. Bonds3

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

N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 107576919) has the molecular formula C15H15BrClN3 and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID107576919
Molecular FormulaC15H15BrClN3
Molecular Weight352.66 g/mol
Exact Mass351.01
IUPAC NameN-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Br)cc(Nc2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C15H15BrClN3/c1-8-5-11(16)7-12(6-8)18-14-9(2)13(17)19-15(20-14)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyBCSJLHWOGGUNSH-UHFFFAOYSA-N
XLogP5.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974062
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979147

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 107576919) is N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1cc(Br)cc(Nc2nc(C3CC3)nc(Cl)c2C)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is BCSJLHWOGGUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3/c1-8-5-11(16)7-12(6-8)18-14-9(2)13(17)19-15(20-14)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 352.66 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107576919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).