1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine

C15H19N3O — CID 55114291

IUPAC1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
SMILESCOc1ccccc1Cc1nccc(CC(C)N)n1
InChIInChI=1S/C15H19N3O/c1-11(16)9-13-7-8-17-15(18-13)10-12-5-3-4-6-14(12)19-2/h3-8,11H,9-10,16H2,1-2H3
InChIKeyJIGVLJHMKYXWFQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.97
Rot. Bonds5

About 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine

1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine (PubChem CID 55114291) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
PubChem CID55114291
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
SMILESCOc1ccccc1Cc1nccc(CC(C)N)n1
InChIInChI=1S/C15H19N3O/c1-11(16)9-13-7-8-17-15(18-13)10-12-5-3-4-6-14(12)19-2/h3-8,11H,9-10,16H2,1-2H3
InChIKeyJIGVLJHMKYXWFQ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749189
1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 62745395
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 62744340
N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 55045486
1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745058
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
CID 62745394
[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 63350470
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 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine (CID 55114291) is 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine is COc1ccccc1Cc1nccc(CC(C)N)n1.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
The InChIKey is JIGVLJHMKYXWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(16)9-13-7-8-17-15(18-13)10-12-5-3-4-6-14(12)19-2/h3-8,11H,9-10,16H2,1-2H3.
What are the key properties of 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine?
1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 55114291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).