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

C15H18N4O — CID 118738949

IUPAC1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cnc(NC2CCc3c(ccc(=O)n3C)C2)nc1
InChIInChI=1S/C15H18N4O/c1-10-8-16-15(17-9-10)18-12-4-5-13-11(7-12)3-6-14(20)19(13)2/h3,6,8-9,12H,4-5,7H2,1-2H3,(H,16,17,18)
InChIKeyMZEURYDGZZQEQL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.45
Rot. Bonds2

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

1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118738949) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118738949
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCc1cnc(NC2CCc3c(ccc(=O)n3C)C2)nc1
InChIInChI=1S/C15H18N4O/c1-10-8-16-15(17-9-10)18-12-4-5-13-11(7-12)3-6-14(20)19(13)2/h3,6,8-9,12H,4-5,7H2,1-2H3,(H,16,17,18)
InChIKeyMZEURYDGZZQEQL-UHFFFAOYSA-N
XLogP1.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one (CID 118738949) is 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one is Cc1cnc(NC2CCc3c(ccc(=O)n3C)C2)nc1.
What is the InChIKey of 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is MZEURYDGZZQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-8-16-15(17-9-10)18-12-4-5-13-11(7-12)3-6-14(20)19(13)2/h3,6,8-9,12H,4-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one?
1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118738949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).