3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

C10H8N4O2 — CID 814544

IUPAC3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESNn1c(=O)[nH]c2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C10H8N4O2/c11-14-9(15)8-7(13-10(14)16)5-3-1-2-4-6(5)12-8/h1-4,12H,11H2,(H,13,16)
InChIKeyWHYUSOORUMTYCQ-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.12
Rot. Bonds

About 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (PubChem CID 814544) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.

Molecular Properties

Compound Name3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
PubChem CID814544
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
SMILESNn1c(=O)[nH]c2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C10H8N4O2/c11-14-9(15)8-7(13-10(14)16)5-3-1-2-4-6(5)12-8/h1-4,12H,11H2,(H,13,16)
InChIKeyWHYUSOORUMTYCQ-UHFFFAOYSA-N
XLogP-0.12
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The IUPAC name of 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione (CID 814544) is 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
What is the SMILES notation for 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The canonical SMILES for 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is Nn1c(=O)[nH]c2c([nH]c3ccccc32)c1=O.
What is the InChIKey of 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
The InChIKey is WHYUSOORUMTYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-14-9(15)8-7(13-10(14)16)5-3-1-2-4-6(5)12-8/h1-4,12H,11H2,(H,13,16).
What are the key properties of 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione?
3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione has a molecular weight of 216.20 g/mol, XLogP of -0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is sourced from PubChem (CID 814544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).