2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

C17H24N4 — CID 107504381

IUPAC2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1cc(CC(C)C)nc(-c2cc(C)nc(C)c2)n1
InChIInChI=1S/C17H24N4/c1-6-18-16-10-15(7-11(2)3)20-17(21-16)14-8-12(4)19-13(5)9-14/h8-11H,6-7H2,1-5H3,(H,18,20,21)
InChIKeyAVHRIUIBJGLREO-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.79
Rot. Bonds5

About 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 107504381) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID107504381
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1cc(CC(C)C)nc(-c2cc(C)nc(C)c2)n1
InChIInChI=1S/C17H24N4/c1-6-18-16-10-15(7-11(2)3)20-17(21-16)14-8-12(4)19-13(5)9-14/h8-11H,6-7H2,1-5H3,(H,18,20,21)
InChIKeyAVHRIUIBJGLREO-UHFFFAOYSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 107504381) is 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1cc(CC(C)C)nc(-c2cc(C)nc(C)c2)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is AVHRIUIBJGLREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-18-16-10-15(7-11(2)3)20-17(21-16)14-8-12(4)19-13(5)9-14/h8-11H,6-7H2,1-5H3,(H,18,20,21).
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 107504381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).