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

C18H25N3 — CID 79219938

IUPAC2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine
SMILESCCc1ccc(-c2nc(CC)c(CCN)c(CC)n2)cc1
InChIInChI=1S/C18H25N3/c1-4-13-7-9-14(10-8-13)18-20-16(5-2)15(11-12-19)17(6-3)21-18/h7-10H,4-6,11-12,19H2,1-3H3
InChIKeyBWIGCZBIHSOBBK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.33
Rot. Bonds6

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

2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine (PubChem CID 79219938) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine
PubChem CID79219938
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine
SMILESCCc1ccc(-c2nc(CC)c(CCN)c(CC)n2)cc1
InChIInChI=1S/C18H25N3/c1-4-13-7-9-14(10-8-13)18-20-16(5-2)15(11-12-19)17(6-3)21-18/h7-10H,4-6,11-12,19H2,1-3H3
InChIKeyBWIGCZBIHSOBBK-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine (CID 79219938) is 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine is CCc1ccc(-c2nc(CC)c(CCN)c(CC)n2)cc1.
What is the InChIKey of 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine?
The InChIKey is BWIGCZBIHSOBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-13-7-9-14(10-8-13)18-20-16(5-2)15(11-12-19)17(6-3)21-18/h7-10H,4-6,11-12,19H2,1-3H3.
What are the key properties of 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine?
2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 79219938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).