2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine

C16H22N4 — CID 80976151

IUPAC2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1ccc(Cc2nc(CC)nc(NC)c2C)nc1
InChIInChI=1S/C16H22N4/c1-5-12-7-8-13(18-10-12)9-14-11(3)16(17-4)20-15(6-2)19-14/h7-8,10H,5-6,9H2,1-4H3,(H,17,19,20)
InChIKeyJDJOLKQBFNTXJW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.94
Rot. Bonds5

About 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine

2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine (PubChem CID 80976151) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine
PubChem CID80976151
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1ccc(Cc2nc(CC)nc(NC)c2C)nc1
InChIInChI=1S/C16H22N4/c1-5-12-7-8-13(18-10-12)9-14-11(3)16(17-4)20-15(6-2)19-14/h7-8,10H,5-6,9H2,1-4H3,(H,17,19,20)
InChIKeyJDJOLKQBFNTXJW-UHFFFAOYSA-N
XLogP2.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine (CID 80976151) is 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine is CCc1ccc(Cc2nc(CC)nc(NC)c2C)nc1.
What is the InChIKey of 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is JDJOLKQBFNTXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-12-7-8-13(18-10-12)9-14-11(3)16(17-4)20-15(6-2)19-14/h7-8,10H,5-6,9H2,1-4H3,(H,17,19,20).
What are the key properties of 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine?
2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80976151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).