3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine

C15H16BrN3O — CID 116899170

IUPAC3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(Br)cc1-c1ccnc(C2CC(N)C2)n1
InChIInChI=1S/C15H16BrN3O/c1-20-14-3-2-10(16)8-12(14)13-4-5-18-15(19-13)9-6-11(17)7-9/h2-5,8-9,11H,6-7,17H2,1H3
InChIKeyIMZXTOJTRPZOQN-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.12
Rot. Bonds3

About 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine

3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine (PubChem CID 116899170) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
PubChem CID116899170
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(Br)cc1-c1ccnc(C2CC(N)C2)n1
InChIInChI=1S/C15H16BrN3O/c1-20-14-3-2-10(16)8-12(14)13-4-5-18-15(19-13)9-6-11(17)7-9/h2-5,8-9,11H,6-7,17H2,1H3
InChIKeyIMZXTOJTRPZOQN-UHFFFAOYSA-N
XLogP3.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]propan-2-one
CID 116901573
2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
CID 116893294
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
CID 116904266
6-(5-bromo-2-methoxyphenyl)-4,5-dihydropyridazin-3-amine
CID 64687503
[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 62250376
3-(4-propan-2-ylpyrimidin-2-yl)cyclobutan-1-amine
CID 116899147
5-(5-bromo-2-methoxyphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 62220801

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine (CID 116899170) is 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine is COc1ccc(Br)cc1-c1ccnc(C2CC(N)C2)n1.
What is the InChIKey of 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
The InChIKey is IMZXTOJTRPZOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-20-14-3-2-10(16)8-12(14)13-4-5-18-15(19-13)9-6-11(17)7-9/h2-5,8-9,11H,6-7,17H2,1H3.
What are the key properties of 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine has a molecular weight of 334.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116899170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).