1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine

C15H19N3O — CID 62745398

IUPAC1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
SMILESCCOc1cccc(-c2nccc(CC(C)N)n2)c1
InChIInChI=1S/C15H19N3O/c1-3-19-14-6-4-5-12(10-14)15-17-8-7-13(18-15)9-11(2)16/h4-8,10-11H,3,9,16H2,1-2H3
InChIKeyAVFCLWZLUKEJTH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine

1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 62745398) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
PubChem CID62745398
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine
SMILESCCOc1cccc(-c2nccc(CC(C)N)n2)c1
InChIInChI=1S/C15H19N3O/c1-3-19-14-6-4-5-12(10-14)15-17-8-7-13(18-15)9-11(2)16/h4-8,10-11H,3,9,16H2,1-2H3
InChIKeyAVFCLWZLUKEJTH-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 103399718
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43519296
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
1-[2-(4-nitrophenyl)pyrimidin-4-yl]propan-2-amine
CID 62746794
1-(2-pyrazin-2-ylpyrimidin-4-yl)propan-2-amine
CID 62745922
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539968
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine (CID 62745398) is 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine is CCOc1cccc(-c2nccc(CC(C)N)n2)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is AVFCLWZLUKEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-19-14-6-4-5-12(10-14)15-17-8-7-13(18-15)9-11(2)16/h4-8,10-11H,3,9,16H2,1-2H3.
What are the key properties of 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine?
1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 62745398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).