N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine

C16H21N3O2 — CID 62744975

IUPACN-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-5-17-10-13-8-11(2)18-16(19-13)12-6-7-14(20-3)15(9-12)21-4/h6-9,17H,5,10H2,1-4H3
InChIKeyQKZQJFBDJINLGY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds6

About N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine

N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 62744975) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
PubChem CID62744975
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-5-17-10-13-8-11(2)18-16(19-13)12-6-7-14(20-3)15(9-12)21-4/h6-9,17H,5,10H2,1-4H3
InChIKeyQKZQJFBDJINLGY-UHFFFAOYSA-N
XLogP2.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine (CID 62744975) is N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is QKZQJFBDJINLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-17-10-13-8-11(2)18-16(19-13)12-6-7-14(20-3)15(9-12)21-4/h6-9,17H,5,10H2,1-4H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62744975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).