2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine

C13H16N4 — CID 80935966

IUPAC2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cnccc2C)n1
InChIInChI=1S/C13H16N4/c1-4-12-16-11(7-13(14-3)17-12)10-8-15-6-5-9(10)2/h5-8H,4H2,1-3H3,(H,14,16,17)
InChIKeyXJFXJEGIXXIYIG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.45
Rot. Bonds3

About 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine

2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 80935966) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID80935966
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cnccc2C)n1
InChIInChI=1S/C13H16N4/c1-4-12-16-11(7-13(14-3)17-12)10-8-15-6-5-9(10)2/h5-8H,4H2,1-3H3,(H,14,16,17)
InChIKeyXJFXJEGIXXIYIG-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine (CID 80935966) is 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine is CCc1nc(NC)cc(-c2cnccc2C)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is XJFXJEGIXXIYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-4-12-16-11(7-13(14-3)17-12)10-8-15-6-5-9(10)2/h5-8H,4H2,1-3H3,(H,14,16,17).
What are the key properties of 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 80935966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).