pyrimido[5,4-b]indol-5-amine

C10H8N4 — CID 146263517

IUPACpyrimido[5,4-b]indol-5-amine
SMILESNn1c2ccccc2c2ncncc21
InChIInChI=1S/C10H8N4/c11-14-8-4-2-1-3-7(8)10-9(14)5-12-6-13-10/h1-6H,11H2
InChIKeyYCZACGBMOCTKPG-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.30
Rot. Bonds

About pyrimido[5,4-b]indol-5-amine

pyrimido[5,4-b]indol-5-amine (PubChem CID 146263517) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is pyrimido[5,4-b]indol-5-amine.

Molecular Properties

Compound Namepyrimido[5,4-b]indol-5-amine
PubChem CID146263517
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Namepyrimido[5,4-b]indol-5-amine
SMILESNn1c2ccccc2c2ncncc21
InChIInChI=1S/C10H8N4/c11-14-8-4-2-1-3-7(8)10-9(14)5-12-6-13-10/h1-6H,11H2
InChIKeyYCZACGBMOCTKPG-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimido[5,4-b]indol-5-amine?
The IUPAC name of pyrimido[5,4-b]indol-5-amine (CID 146263517) is pyrimido[5,4-b]indol-5-amine.
What is the SMILES notation for pyrimido[5,4-b]indol-5-amine?
The canonical SMILES for pyrimido[5,4-b]indol-5-amine is Nn1c2ccccc2c2ncncc21.
What is the InChIKey of pyrimido[5,4-b]indol-5-amine?
The InChIKey is YCZACGBMOCTKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-14-8-4-2-1-3-7(8)10-9(14)5-12-6-13-10/h1-6H,11H2.
What are the key properties of pyrimido[5,4-b]indol-5-amine?
pyrimido[5,4-b]indol-5-amine has a molecular weight of 184.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[5,4-b]indol-5-amine is sourced from PubChem (CID 146263517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).