2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine

C18H25N3 — CID 79218247

IUPAC2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(-c2ccccc2)nc1CC
InChIInChI=1S/C18H25N3/c1-4-16-15(12-13-19-6-3)17(5-2)21-18(20-16)14-10-8-7-9-11-14/h7-11,19H,4-6,12-13H2,1-3H3
InChIKeyMPQITJKIJPSJDD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.42
Rot. Bonds7

About 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine

2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine (PubChem CID 79218247) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine
PubChem CID79218247
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCNCCc1c(CC)nc(-c2ccccc2)nc1CC
InChIInChI=1S/C18H25N3/c1-4-16-15(12-13-19-6-3)17(5-2)21-18(20-16)14-10-8-7-9-11-14/h7-11,19H,4-6,12-13H2,1-3H3
InChIKeyMPQITJKIJPSJDD-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine (CID 79218247) is 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine is CCNCCc1c(CC)nc(-c2ccccc2)nc1CC.
What is the InChIKey of 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine?
The InChIKey is MPQITJKIJPSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-16-15(12-13-19-6-3)17(5-2)21-18(20-16)14-10-8-7-9-11-14/h7-11,19H,4-6,12-13H2,1-3H3.
What are the key properties of 2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine?
2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.42, 7 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-phenylpyrimidin-5-yl)-N-ethylethanamine is sourced from PubChem (CID 79218247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).