4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one

C16H18N4O — CID 71977948

IUPAC4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(NCC2CC(=O)Nc3ccccc32)nc(C)n1
InChIInChI=1S/C16H18N4O/c1-10-7-15(19-11(2)18-10)17-9-12-8-16(21)20-14-6-4-3-5-13(12)14/h3-7,12H,8-9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyUAZFOZMJUQUEDG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.63
Rot. Bonds3

About 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one

4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 71977948) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID71977948
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(NCC2CC(=O)Nc3ccccc32)nc(C)n1
InChIInChI=1S/C16H18N4O/c1-10-7-15(19-11(2)18-10)17-9-12-8-16(21)20-14-6-4-3-5-13(12)14/h3-7,12H,8-9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyUAZFOZMJUQUEDG-UHFFFAOYSA-N
XLogP2.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 71977948) is 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cc(NCC2CC(=O)Nc3ccccc32)nc(C)n1.
What is the InChIKey of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UAZFOZMJUQUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-7-15(19-11(2)18-10)17-9-12-8-16(21)20-14-6-4-3-5-13(12)14/h3-7,12H,8-9H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 71977948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).