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

C17H23N3 — CID 79218553

IUPAC2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(-c2ccccc2C)nc(CC)c1CCN
InChIInChI=1S/C17H23N3/c1-4-15-14(10-11-18)16(5-2)20-17(19-15)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11,18H2,1-3H3
InChIKeyRQYNVKVPMCHVMW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.08
Rot. Bonds5

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

2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine (PubChem CID 79218553) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine
PubChem CID79218553
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine
SMILESCCc1nc(-c2ccccc2C)nc(CC)c1CCN
InChIInChI=1S/C17H23N3/c1-4-15-14(10-11-18)16(5-2)20-17(19-15)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11,18H2,1-3H3
InChIKeyRQYNVKVPMCHVMW-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.08
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-(2-methylphenyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine (CID 79218553) is 2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine is CCc1nc(-c2ccccc2C)nc(CC)c1CCN.
What is the InChIKey of 2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine?
The InChIKey is RQYNVKVPMCHVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-15-14(10-11-18)16(5-2)20-17(19-15)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11,18H2,1-3H3.
What are the key properties of 2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine?
2-[4,6-diethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.08, 5 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-(2-methylphenyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 79218553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).