6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

C16H20N4O — CID 118738946

IUPAC6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCc1cnc(NC2CCc3c(ccc(=O)n3C)C2)nc1
InChIInChI=1S/C16H20N4O/c1-3-11-9-17-16(18-10-11)19-13-5-6-14-12(8-13)4-7-15(21)20(14)2/h4,7,9-10,13H,3,5-6,8H2,1-2H3,(H,17,18,19)
InChIKeyITNOXAQSNRJVSM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.71
Rot. Bonds3

About 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118738946) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118738946
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCc1cnc(NC2CCc3c(ccc(=O)n3C)C2)nc1
InChIInChI=1S/C16H20N4O/c1-3-11-9-17-16(18-10-11)19-13-5-6-14-12(8-13)4-7-15(21)20(14)2/h4,7,9-10,13H,3,5-6,8H2,1-2H3,(H,17,18,19)
InChIKeyITNOXAQSNRJVSM-UHFFFAOYSA-N
XLogP1.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 118738946) is 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is CCc1cnc(NC2CCc3c(ccc(=O)n3C)C2)nc1.
What is the InChIKey of 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ITNOXAQSNRJVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-11-9-17-16(18-10-11)19-13-5-6-14-12(8-13)4-7-15(21)20(14)2/h4,7,9-10,13H,3,5-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118738946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).