2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine

C16H16N4 — CID 81222064

IUPAC2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cccc3ncccc23)n1
InChIInChI=1S/C16H16N4/c1-3-15-19-14(10-16(17-2)20-15)12-6-4-8-13-11(12)7-5-9-18-13/h4-10H,3H2,1-2H3,(H,17,19,20)
InChIKeyMHWFYCTUJIWHEP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds3

About 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine

2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine (PubChem CID 81222064) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine
PubChem CID81222064
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cccc3ncccc23)n1
InChIInChI=1S/C16H16N4/c1-3-15-19-14(10-16(17-2)20-15)12-6-4-8-13-11(12)7-5-9-18-13/h4-10H,3H2,1-2H3,(H,17,19,20)
InChIKeyMHWFYCTUJIWHEP-UHFFFAOYSA-N
XLogP3.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
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-quinolin-5-ylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine (CID 81222064) is 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine is CCc1nc(NC)cc(-c2cccc3ncccc23)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine?
The InChIKey is MHWFYCTUJIWHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-15-19-14(10-16(17-2)20-15)12-6-4-8-13-11(12)7-5-9-18-13/h4-10H,3H2,1-2H3,(H,17,19,20).
What are the key properties of 2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine?
2-ethyl-N-methyl-6-quinolin-5-ylpyrimidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.30, 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-quinolin-5-ylpyrimidin-4-amine is sourced from PubChem (CID 81222064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).