N-phenyl-9H-pyrimido[4,5-b]indol-4-amine

C16H12N4 — CID 5328391

IUPACN-phenyl-9H-pyrimido[4,5-b]indol-4-amine
SMILESc1ccc(Nc2ncnc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-10H,(H2,17,18,19,20)
InChIKeyRNCCWYOKKBCIPY-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.85
Rot. Bonds2

About N-phenyl-9H-pyrimido[4,5-b]indol-4-amine

N-phenyl-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 5328391) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-phenyl-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound NameN-phenyl-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID5328391
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC NameN-phenyl-9H-pyrimido[4,5-b]indol-4-amine
SMILESc1ccc(Nc2ncnc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-10H,(H2,17,18,19,20)
InChIKeyRNCCWYOKKBCIPY-UHFFFAOYSA-N
XLogP3.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-phenyl-9H-pyrimido[4,5-b]indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzylaminopurine
CID 62389
2-Amino-9H-pyrido(2,3-b)indole
CID 62805
3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole
CID 5284474
3-Amino-1-methyl-5H-pyrido(4,3-b)indole
CID 5284476
2-Amino-3-methyl-9H-pyrido(2,3-b)indole
CID 62244
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Rolodine
CID 5359646
BN-81,644
CID 9802572
Luf-5962
CID 11617054
4-Anilinoquinazoline
CID 324081

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of N-phenyl-9H-pyrimido[4,5-b]indol-4-amine (CID 5328391) is N-phenyl-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for N-phenyl-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for N-phenyl-9H-pyrimido[4,5-b]indol-4-amine is c1ccc(Nc2ncnc3[nH]c4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is RNCCWYOKKBCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-10H,(H2,17,18,19,20).
What are the key properties of N-phenyl-9H-pyrimido[4,5-b]indol-4-amine?
N-phenyl-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 5328391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).