3-amino-5H-pyrimido[5,4-b]indol-4-one

C10H8N4O — CID 814497

IUPAC3-amino-5H-pyrimido[5,4-b]indol-4-one
SMILESNn1cnc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C10H8N4O/c11-14-5-12-8-6-3-1-2-4-7(6)13-9(8)10(14)15/h1-5,13H,11H2
InChIKeyBJLPBOXGVIESSZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.59
Rot. Bonds

About 3-amino-5H-pyrimido[5,4-b]indol-4-one

3-amino-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 814497) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-amino-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name3-amino-5H-pyrimido[5,4-b]indol-4-one
PubChem CID814497
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name3-amino-5H-pyrimido[5,4-b]indol-4-one
SMILESNn1cnc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C10H8N4O/c11-14-5-12-8-6-3-1-2-4-7(6)13-9(8)10(14)15/h1-5,13H,11H2
InChIKeyBJLPBOXGVIESSZ-UHFFFAOYSA-N
XLogP0.59
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 3-amino-5H-pyrimido[5,4-b]indol-4-one (CID 814497) is 3-amino-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 3-amino-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 3-amino-5H-pyrimido[5,4-b]indol-4-one is Nn1cnc2c([nH]c3ccccc32)c1=O.
What is the InChIKey of 3-amino-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is BJLPBOXGVIESSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-14-5-12-8-6-3-1-2-4-7(6)13-9(8)10(14)15/h1-5,13H,11H2.
What are the key properties of 3-amino-5H-pyrimido[5,4-b]indol-4-one?
3-amino-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 200.20 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 814497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).