N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine

C17H23N3O — CID 62771730

IUPACN-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2ccccc2OC)nc1C
InChIInChI=1S/C17H23N3O/c1-5-18-12(2)15-11-19-17(20-13(15)3)10-14-8-6-7-9-16(14)21-4/h6-9,11-12,18H,5,10H2,1-4H3
InChIKeyDKHQDVTUDQIKSO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds6

About N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine

N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 62771730) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
PubChem CID62771730
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2ccccc2OC)nc1C
InChIInChI=1S/C17H23N3O/c1-5-18-12(2)15-11-19-17(20-13(15)3)10-14-8-6-7-9-16(14)21-4/h6-9,11-12,18H,5,10H2,1-4H3
InChIKeyDKHQDVTUDQIKSO-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653744
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494
N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 55045486
2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62746485
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 62190751
N-ethyl-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanamine
CID 63086419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine (CID 62771730) is N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine is CCNC(C)c1cnc(Cc2ccccc2OC)nc1C.
What is the InChIKey of N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is DKHQDVTUDQIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-18-12(2)15-11-19-17(20-13(15)3)10-14-8-6-7-9-16(14)21-4/h6-9,11-12,18H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 62771730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).