2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine

C15H18BrN3O — CID 116892702

IUPAC2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCOc1ccc(Br)cc1-c1cc(C)nc(C(C)CN)n1
InChIInChI=1S/C15H18BrN3O/c1-9(8-17)15-18-10(2)6-13(19-15)12-7-11(16)4-5-14(12)20-3/h4-7,9H,8,17H2,1-3H3
InChIKeyAJZSFRAYWQAXRF-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.29
Rot. Bonds4

About 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine

2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine (PubChem CID 116892702) 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-1-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
PubChem CID116892702
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCOc1ccc(Br)cc1-c1cc(C)nc(C(C)CN)n1
InChIInChI=1S/C15H18BrN3O/c1-9(8-17)15-18-10(2)6-13(19-15)12-7-11(16)4-5-14(12)20-3/h4-7,9H,8,17H2,1-3H3
InChIKeyAJZSFRAYWQAXRF-UHFFFAOYSA-N
XLogP3.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892562
2-(azetidin-3-yl)-4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine
CID 116893294
2-[5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 113296181
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897844
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
2-(3-methoxy-6-methyl-2-pyridinyl)propan-1-amine
CID 84768206
N'-[6-(5-bromo-2-methoxyphenyl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973250
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
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-1-amine?
The IUPAC name of 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine (CID 116892702) is 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine is COc1ccc(Br)cc1-c1cc(C)nc(C(C)CN)n1.
What is the InChIKey of 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The InChIKey is AJZSFRAYWQAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9(8-17)15-18-10(2)6-13(19-15)12-7-11(16)4-5-14(12)20-3/h4-7,9H,8,17H2,1-3H3.
What are the key properties of 2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine has a molecular weight of 336.23 g/mol, XLogP of 3.29, 4 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-1-amine is sourced from PubChem (CID 116892702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).