dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium

C15H19N4O+ — CID 2046016

IUPACdimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium
SMILESCc1ccc2c(c1)[nH]c1c(=O)n(CC[NH+](C)C)cnc12
InChIInChI=1S/C15H18N4O/c1-10-4-5-11-12(8-10)17-14-13(11)16-9-19(15(14)20)7-6-18(2)3/h4-5,8-9,17H,6-7H2,1-3H3/p+1
InChIKeyBMLGWLLBFJOUBC-UHFFFAOYSA-O
MW271.34 g/mol
LogP0.33
Rot. Bonds3

About dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium

dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium (PubChem CID 2046016) has the molecular formula C15H19N4O+ and a molecular weight of 271.34 g/mol. Its IUPAC name is dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium
PubChem CID2046016
Molecular FormulaC15H19N4O+
Molecular Weight271.34 g/mol
Exact Mass271.16
IUPAC Namedimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium
SMILESCc1ccc2c(c1)[nH]c1c(=O)n(CC[NH+](C)C)cnc12
InChIInChI=1S/C15H18N4O/c1-10-4-5-11-12(8-10)17-14-13(11)16-9-19(15(14)20)7-6-18(2)3/h4-5,8-9,17H,6-7H2,1-3H3/p+1
InChIKeyBMLGWLLBFJOUBC-UHFFFAOYSA-O
XLogP0.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium 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

7-methyl-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 2048218
7-methyl-3-(2-piperazin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 664924
7-methyl-3-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-one
CID 2028444
dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium
CID 6955520
7-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-one
CID 7177233
8-methyl-3-(2-phenylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 915110
3-benzyl-8-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 915720
3,8-dimethyl-5H-pyrimido[5,4-b]indol-4-one
CID 3106031
3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 170722034
3-(3-ethoxypropyl)-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 662745
N-cyclohexyl-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028180
3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 3756947

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium?
The IUPAC name of dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium (CID 2046016) is dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium.
What is the SMILES notation for dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium?
The canonical SMILES for dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium is Cc1ccc2c(c1)[nH]c1c(=O)n(CC[NH+](C)C)cnc12.
What is the InChIKey of dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium?
The InChIKey is BMLGWLLBFJOUBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4O/c1-10-4-5-11-12(8-10)17-14-13(11)16-9-19(15(14)20)7-6-18(2)3/h4-5,8-9,17H,6-7H2,1-3H3/p+1.
What are the key properties of dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium?
dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium has a molecular weight of 271.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium is sourced from PubChem (CID 2046016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).