2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine

C17H23N3O — CID 79219772

IUPAC2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(-c2cccc(OC)c2)nc(CC)c1CCN
InChIInChI=1S/C17H23N3O/c1-4-15-14(9-10-18)16(5-2)20-17(19-15)12-7-6-8-13(11-12)21-3/h6-8,11H,4-5,9-10,18H2,1-3H3
InChIKeyLUJFVAQWSKHDOG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.78
Rot. Bonds6

About 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine

2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine (PubChem CID 79219772) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
PubChem CID79219772
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(-c2cccc(OC)c2)nc(CC)c1CCN
InChIInChI=1S/C17H23N3O/c1-4-15-14(9-10-18)16(5-2)20-17(19-15)12-7-6-8-13(11-12)21-3/h6-8,11H,4-5,9-10,18H2,1-3H3
InChIKeyLUJFVAQWSKHDOG-UHFFFAOYSA-N
XLogP2.78
TPSA61.03 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
2-[2-(3-chloro-4-fluorophenyl)-4,6-diethylpyrimidin-5-yl]ethanamine
CID 79220557
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474357
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82484595
5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
CID 162444221
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 126779977
4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 30029551
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine (CID 79219772) is 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine is CCc1nc(-c2cccc(OC)c2)nc(CC)c1CCN.
What is the InChIKey of 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine?
The InChIKey is LUJFVAQWSKHDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-15-14(9-10-18)16(5-2)20-17(19-15)12-7-6-8-13(11-12)21-3/h6-8,11H,4-5,9-10,18H2,1-3H3.
What are the key properties of 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine?
2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 79219772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).