4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one

C14H14N2O — CID 171376005

IUPAC4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one
SMILESCC1=c2ccccc2=CN2C1=NC(=O)CC2C
InChIInChI=1S/C14H14N2O/c1-9-7-13(17)15-14-10(2)12-6-4-3-5-11(12)8-16(9)14/h3-6,8-9H,7H2,1-2H3
InChIKeyHMLWUUIMWPFENL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.63
Rot. Bonds

About 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one

4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one (PubChem CID 171376005) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one.

Molecular Properties

Compound Name4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one
PubChem CID171376005
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one
SMILESCC1=c2ccccc2=CN2C1=NC(=O)CC2C
InChIInChI=1S/C14H14N2O/c1-9-7-13(17)15-14-10(2)12-6-4-3-5-11(12)8-16(9)14/h3-6,8-9H,7H2,1-2H3
InChIKeyHMLWUUIMWPFENL-UHFFFAOYSA-N
XLogP0.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892482
7,9-Dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile
CID 138963009
7-Methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one
CID 328373
8-Ethyl-3-methyl-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
CID 155807008
3,4,8,9,10,11-Hexahydropyrimido[2,1-a]isoquinolin-2-one
CID 142158221
2-[3-(2,7-diazabicyclo[3.2.0]hepta-1(7),3,5-trien-2-yl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylacetamide
CID 143094958
2-Amino-6-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-4-one
CID 10443373
2-(4-methyl-2H-pyrido[1,2-a]pyrimidin-9-yl)acetamide
CID 145662764
4,11-Dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one;hydrochloride
CID 171376004

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one?
The IUPAC name of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one (CID 171376005) is 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one.
What is the SMILES notation for 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one?
The canonical SMILES for 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one is CC1=c2ccccc2=CN2C1=NC(=O)CC2C.
What is the InChIKey of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one?
The InChIKey is HMLWUUIMWPFENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-7-13(17)15-14-10(2)12-6-4-3-5-11(12)8-16(9)14/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one?
4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one has a molecular weight of 226.28 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-3,4-dihydropyrimido[1,2-b]isoquinolin-2-one is sourced from PubChem (CID 171376005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).