2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine

C15H18BrN3O — CID 116892562

IUPAC2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
SMILESCOc1ccc(Br)cc1-c1cc(C)nc(C(C)(C)N)n1
InChIInChI=1S/C15H18BrN3O/c1-9-7-12(19-14(18-9)15(2,3)17)11-8-10(16)5-6-13(11)20-4/h5-8H,17H2,1-4H3
InChIKeyDHWFQKGMFWPOHA-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.42
Rot. Bonds3

About 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine

2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine (PubChem CID 116892562) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
PubChem CID116892562
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
SMILESCOc1ccc(Br)cc1-c1cc(C)nc(C(C)(C)N)n1
InChIInChI=1S/C15H18BrN3O/c1-9-7-12(19-14(18-9)15(2,3)17)11-8-10(16)5-6-13(11)20-4/h5-8H,17H2,1-4H3
InChIKeyDHWFQKGMFWPOHA-UHFFFAOYSA-N
XLogP3.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892561
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892702
2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
CID 116893294
4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
2-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897642
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
3-(5-bromo-2-methoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 82134756
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
The IUPAC name of 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine (CID 116892562) is 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine is COc1ccc(Br)cc1-c1cc(C)nc(C(C)(C)N)n1.
What is the InChIKey of 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
The InChIKey is DHWFQKGMFWPOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9-7-12(19-14(18-9)15(2,3)17)11-8-10(16)5-6-13(11)20-4/h5-8H,17H2,1-4H3.
What are the key properties of 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116892562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).