2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C17H23N3O — CID 62746485

IUPAC2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCOc1ccccc1Cc1nc(C)c(C(C)CN)c(C)n1
InChIInChI=1S/C17H23N3O/c1-11(10-18)17-12(2)19-16(20-13(17)3)9-14-7-5-6-8-15(14)21-4/h5-8,11H,9-10,18H2,1-4H3
InChIKeyAOUPUKUOPWUQQU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.76
Rot. Bonds5

About 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 62746485) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID62746485
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCOc1ccccc1Cc1nc(C)c(C(C)CN)c(C)n1
InChIInChI=1S/C17H23N3O/c1-11(10-18)17-12(2)19-16(20-13(17)3)9-14-7-5-6-8-15(14)21-4/h5-8,11H,9-10,18H2,1-4H3
InChIKeyAOUPUKUOPWUQQU-UHFFFAOYSA-N
XLogP2.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
methyl 4-amino-2-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647642
1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745058
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299705
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
2-[2-[(2-bromophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 66144887
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 62746485) is 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine is COc1ccccc1Cc1nc(C)c(C(C)CN)c(C)n1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is AOUPUKUOPWUQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(10-18)17-12(2)19-16(20-13(17)3)9-14-7-5-6-8-15(14)21-4/h5-8,11H,9-10,18H2,1-4H3.
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 62746485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).