1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine

C15H19N3O2 — CID 103399718

IUPAC1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
SMILESCOc1cc(OC)cc(-c2nccc(CC(C)N)n2)c1
InChIInChI=1S/C15H19N3O2/c1-10(16)6-12-4-5-17-15(18-12)11-7-13(19-2)9-14(8-11)20-3/h4-5,7-10H,6,16H2,1-3H3
InChIKeyGLIOICOBHQTNMW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine

1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 103399718) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
PubChem CID103399718
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
SMILESCOc1cc(OC)cc(-c2nccc(CC(C)N)n2)c1
InChIInChI=1S/C15H19N3O2/c1-10(16)6-12-4-5-17-15(18-12)11-7-13(19-2)9-14(8-11)20-3/h4-5,7-10H,6,16H2,1-3H3
InChIKeyGLIOICOBHQTNMW-UHFFFAOYSA-N
XLogP2.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
4-(chloromethyl)-2-(3,5-dimethoxyphenyl)pyrimidine
CID 103399713
1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745398
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103399695
1-[2-(4-nitrophenyl)pyrimidin-4-yl]propan-2-amine
CID 62746794
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
CID 113337356
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 62745395
1-(2-pyrazin-2-ylpyrimidin-4-yl)propan-2-amine
CID 62745922
1-[2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]butan-2-amine
CID 107504530
1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 114016403
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine (CID 103399718) is 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine is COc1cc(OC)cc(-c2nccc(CC(C)N)n2)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is GLIOICOBHQTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(16)6-12-4-5-17-15(18-12)11-7-13(19-2)9-14(8-11)20-3/h4-5,7-10H,6,16H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 103399718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).