9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one

C24H19N5O — CID 58524950

IUPAC9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one
SMILESCc1ccc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)cc1C
InChIInChI=1S/C24H19N5O/c1-14-3-6-19(9-15(14)2)29-22(30)8-5-17-11-26-21-7-4-16(10-20(21)23(17)29)18-12-27-24(25)28-13-18/h3-13H,1-2H3,(H2,25,27,28)
InChIKeyISKDWYOTLNFTDA-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.19
Rot. Bonds2

About 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 58524950) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one
PubChem CID58524950
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one
SMILESCc1ccc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)cc1C
InChIInChI=1S/C24H19N5O/c1-14-3-6-19(9-15(14)2)29-22(30)8-5-17-11-26-21-7-4-16(10-20(21)23(17)29)18-12-27-24(25)28-13-18/h3-13H,1-2H3,(H2,25,27,28)
InChIKeyISKDWYOTLNFTDA-UHFFFAOYSA-N
XLogP4.19
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one
CID 58525011
9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one
CID 51351032
1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525059
9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 161471260
N-[4-[1-(4-methyl-3-nitrophenyl)-2-oxobenzo[h][1,6]naphthyridin-9-yl]phenyl]methanesulfonamide
CID 129011312
9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 51358113
1-(3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525137
1-(3-amino-4-methylphenyl)-9-[4-(dimethylamino)piperidin-1-yl]benzo[h][1,6]naphthyridin-2-one
CID 155733831
1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
CID 118148099
1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525217
9-(6-methyl-3-pyridinyl)-1-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 58525213
9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one
CID 175548586

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one (CID 58524950) is 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one is Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)cc1C.
What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is ISKDWYOTLNFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-14-3-6-19(9-15(14)2)29-22(30)8-5-17-11-26-21-7-4-16(10-20(21)23(17)29)18-12-27-24(25)28-13-18/h3-13H,1-2H3,(H2,25,27,28).
What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one?
9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 393.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 58524950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).