2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine

C16H21N3O2 — CID 62748475

IUPAC2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-20-9-8-17-12-14-6-7-18-16(19-14)11-13-4-3-5-15(10-13)21-2/h3-7,10,17H,8-9,11-12H2,1-2H3
InChIKeyUGCFVFJWQWFKOH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.81
Rot. Bonds8

About 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62748475) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine
PubChem CID62748475
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-20-9-8-17-12-14-6-7-18-16(19-14)11-13-4-3-5-15(10-13)21-2/h3-7,10,17H,8-9,11-12H2,1-2H3
InChIKeyUGCFVFJWQWFKOH-UHFFFAOYSA-N
XLogP1.81
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine (CID 62748475) is 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine is COCCNCc1ccnc(Cc2cccc(OC)c2)n1.
What is the InChIKey of 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is UGCFVFJWQWFKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-9-8-17-12-14-6-7-18-16(19-14)11-13-4-3-5-15(10-13)21-2/h3-7,10,17H,8-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62748475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).