4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one

C20H25N3O — CID 90254277

IUPAC4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one
SMILESCC(C)Cc1nccc2c1ccn1c(CC(C)(C)C)cc(=O)nc21
InChIInChI=1S/C20H25N3O/c1-13(2)10-17-15-7-9-23-14(12-20(3,4)5)11-18(24)22-19(23)16(15)6-8-21-17/h6-9,11,13H,10,12H2,1-5H3
InChIKeyMYMDLPXKVDXYJK-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.03
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one

4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one (PubChem CID 90254277) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one
PubChem CID90254277
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one
SMILESCC(C)Cc1nccc2c1ccn1c(CC(C)(C)C)cc(=O)nc21
InChIInChI=1S/C20H25N3O/c1-13(2)10-17-15-7-9-23-14(12-20(3,4)5)11-18(24)22-19(23)16(15)6-8-21-17/h6-9,11,13H,10,12H2,1-5H3
InChIKeyMYMDLPXKVDXYJK-UHFFFAOYSA-N
XLogP4.03
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one (CID 90254277) is 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one is CC(C)Cc1nccc2c1ccn1c(CC(C)(C)C)cc(=O)nc21.
What is the InChIKey of 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one?
The InChIKey is MYMDLPXKVDXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(2)10-17-15-7-9-23-14(12-20(3,4)5)11-18(24)22-19(23)16(15)6-8-21-17/h6-9,11,13H,10,12H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one?
4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one has a molecular weight of 323.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-8-(2-methylpropyl)pyrimido[2,1-a][2,6]naphthyridin-2-one is sourced from PubChem (CID 90254277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).