dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium

C15H19N4O+ — CID 6955520

IUPACdimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium
SMILESC[NH+](C)CCCn1cnc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C15H18N4O/c1-18(2)8-5-9-19-10-16-13-11-6-3-4-7-12(11)17-14(13)15(19)20/h3-4,6-7,10,17H,5,8-9H2,1-2H3/p+1
InChIKeyMTRWXJSRWLUEIZ-UHFFFAOYSA-O
MW271.34 g/mol
LogP0.41
Rot. Bonds4

About dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium

dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium (PubChem CID 6955520) has the molecular formula C15H19N4O+ and a molecular weight of 271.34 g/mol. Its IUPAC name is dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium
PubChem CID6955520
Molecular FormulaC15H19N4O+
Molecular Weight271.34 g/mol
Exact Mass271.16
IUPAC Namedimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium
SMILESC[NH+](C)CCCn1cnc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C15H18N4O/c1-18(2)8-5-9-19-10-16-13-11-6-3-4-7-12(11)17-14(13)15(19)20/h3-4,6-7,10,17H,5,8-9H2,1-2H3/p+1
InChIKeyMTRWXJSRWLUEIZ-UHFFFAOYSA-O
XLogP0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-[2-(7-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)ethyl]azanium
CID 2046016
3-[3-[cyclohexyl(methyl)amino]propyl]-5H-pyrimido[5,4-b]indol-4-one
CID 6623456
3-[3-[benzyl(butyl)amino]propyl]-5H-pyrimido[5,4-b]indol-4-one
CID 23604607
3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propan-2-ylpropanamide
CID 53028163
3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 658621
3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 51691496
N-[(4-methylsulfanylphenyl)methyl]-3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 45499845
8-methyl-3-(2-phenylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 915110
dimethyl-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]azanium
CID 2470673
2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
CID 18525561
8-bromo-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 3776417
N-[(3,4-diethoxyphenyl)methyl]-3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028275

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium?
The IUPAC name of dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium (CID 6955520) is dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium.
What is the SMILES notation for dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium?
The canonical SMILES for dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium is C[NH+](C)CCCn1cnc2c([nH]c3ccccc32)c1=O.
What is the InChIKey of dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium?
The InChIKey is MTRWXJSRWLUEIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4O/c1-18(2)8-5-9-19-10-16-13-11-6-3-4-7-12(11)17-14(13)15(19)20/h3-4,6-7,10,17H,5,8-9H2,1-2H3/p+1.
What are the key properties of dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium?
dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium has a molecular weight of 271.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propyl]azanium is sourced from PubChem (CID 6955520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).