2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one

C12H12N4O — CID 135511119

IUPAC2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one
SMILESCN(C)c1nc2c([nH]c3ccccc32)c(=O)[nH]1
InChIInChI=1S/C12H12N4O/c1-16(2)12-14-9-7-5-3-4-6-8(7)13-10(9)11(17)15-12/h3-6,13H,1-2H3,(H,14,15,17)
InChIKeyFVUOLFVHQBEYMA-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.47
Rot. Bonds1

About 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one

2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one (PubChem CID 135511119) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one
PubChem CID135511119
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one
SMILESCN(C)c1nc2c([nH]c3ccccc32)c(=O)[nH]1
InChIInChI=1S/C12H12N4O/c1-16(2)12-14-9-7-5-3-4-6-8(7)13-10(9)11(17)15-12/h3-6,13H,1-2H3,(H,14,15,17)
InChIKeyFVUOLFVHQBEYMA-UHFFFAOYSA-N
XLogP1.47
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one?
The IUPAC name of 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one (CID 135511119) is 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one?
The canonical SMILES for 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one is CN(C)c1nc2c([nH]c3ccccc32)c(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one?
The InChIKey is FVUOLFVHQBEYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16(2)12-14-9-7-5-3-4-6-8(7)13-10(9)11(17)15-12/h3-6,13H,1-2H3,(H,14,15,17).
What are the key properties of 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one?
2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one has a molecular weight of 228.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3,5-dihydropyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 135511119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).