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

C15H18N4 — CID 2018302

IUPACN-pentyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCCCCNc1ncnc2c1[nH]c1ccccc12
InChIInChI=1S/C15H18N4/c1-2-3-6-9-16-15-14-13(17-10-18-15)11-7-4-5-8-12(11)19-14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,16,17,18)
InChIKeyMOXITAURSAQRKB-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.71
Rot. Bonds5

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

N-pentyl-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 2018302) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-pentyl-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-pentyl-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID2018302
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-pentyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCCCCNc1ncnc2c1[nH]c1ccccc12
InChIInChI=1S/C15H18N4/c1-2-3-6-9-16-15-14-13(17-10-18-15)11-7-4-5-8-12(11)19-14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,16,17,18)
InChIKeyMOXITAURSAQRKB-UHFFFAOYSA-N
XLogP3.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentyl-5H-pyrimido[5,4-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

N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 944182
N-[(4-chlorophenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 944708
6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19142376
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 2026875
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
CID 2005544
4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine
CID 19142423
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 943137
4-N-hexadecyl-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19142416
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
N-hexyl-4-methylphthalazin-1-amine
CID 60642126

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-pentyl-5H-pyrimido[5,4-b]indol-4-amine (CID 2018302) is N-pentyl-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-pentyl-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-pentyl-5H-pyrimido[5,4-b]indol-4-amine is CCCCCNc1ncnc2c1[nH]c1ccccc12.
What is the InChIKey of N-pentyl-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is MOXITAURSAQRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-3-6-9-16-15-14-13(17-10-18-15)11-7-4-5-8-12(11)19-14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,16,17,18).
What are the key properties of N-pentyl-5H-pyrimido[5,4-b]indol-4-amine?
N-pentyl-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 254.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 2018302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).