5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile

C17H15N5O2 — CID 24618847

IUPAC5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc2nc(Cn3nc(C)c(C)c(C#N)c3=O)cc(=O)n2c1
InChIInChI=1S/C17H15N5O2/c1-10-4-5-15-19-13(6-16(23)21(15)8-10)9-22-17(24)14(7-18)11(2)12(3)20-22/h4-6,8H,9H2,1-3H3
InChIKeyDKOCKEKIPMRUCK-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.10
Rot. Bonds2

About 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile

5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile (PubChem CID 24618847) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile
PubChem CID24618847
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc2nc(Cn3nc(C)c(C)c(C#N)c3=O)cc(=O)n2c1
InChIInChI=1S/C17H15N5O2/c1-10-4-5-15-19-13(6-16(23)21(15)8-10)9-22-17(24)14(7-18)11(2)12(3)20-22/h4-6,8H,9H2,1-3H3
InChIKeyDKOCKEKIPMRUCK-UHFFFAOYSA-N
XLogP1.10
TPSA93.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile with MolForge

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Related Compounds

2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile
CID 51098372
3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one
CID 42935713
2-(2-aminoethylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43249315
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 18128366
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 144970394
2-[(6-fluoroquinolin-8-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 38838543
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
2-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 103577216
5,6-dimethyl-2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-3-oxopyridazine-4-carbonitrile
CID 51097185
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46559558

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile (CID 24618847) is 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile is Cc1ccc2nc(Cn3nc(C)c(C)c(C#N)c3=O)cc(=O)n2c1.
What is the InChIKey of 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile?
The InChIKey is DKOCKEKIPMRUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10-4-5-15-19-13(6-16(23)21(15)8-10)9-22-17(24)14(7-18)11(2)12(3)20-22/h4-6,8H,9H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile?
5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 24618847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).