9-methyl-1,2-dihydropyrimido[4,5-b]indole

C11H11N3 — CID 151226131

IUPAC9-methyl-1,2-dihydropyrimido[4,5-b]indole
SMILESCn1c2c(c3ccccc31)C=NCN2
InChIInChI=1S/C11H11N3/c1-14-10-5-3-2-4-8(10)9-6-12-7-13-11(9)14/h2-6,13H,7H2,1H3
InChIKeyVLBPUIGWWAHHRI-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.98
Rot. Bonds

About 9-methyl-1,2-dihydropyrimido[4,5-b]indole

9-methyl-1,2-dihydropyrimido[4,5-b]indole (PubChem CID 151226131) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 9-methyl-1,2-dihydropyrimido[4,5-b]indole.

Molecular Properties

Compound Name9-methyl-1,2-dihydropyrimido[4,5-b]indole
PubChem CID151226131
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name9-methyl-1,2-dihydropyrimido[4,5-b]indole
SMILESCn1c2c(c3ccccc31)C=NCN2
InChIInChI=1S/C11H11N3/c1-14-10-5-3-2-4-8(10)9-6-12-7-13-11(9)14/h2-6,13H,7H2,1H3
InChIKeyVLBPUIGWWAHHRI-UHFFFAOYSA-N
XLogP1.98
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813
ethane;bis(9-methylcarbazole)
CID 159710949
18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene
CID 145265092
ethane;9-methylcarbazole;triphenylene
CID 142356751
9-methylpyrido[2,3-b]indole
CID 12596580
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
9H-carbazole;9-methylcarbazole
CID 142567226
9-methyl-2H-thiopyrano[2,3-b]indole
CID 175258385
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
5-methylphenanthridine-6-thione
CID 71374474
5-methyl-6,7-didehydro-8H-cyclohepta[b]indole
CID 146531987

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2-dihydropyrimido[4,5-b]indole?
The IUPAC name of 9-methyl-1,2-dihydropyrimido[4,5-b]indole (CID 151226131) is 9-methyl-1,2-dihydropyrimido[4,5-b]indole.
What is the SMILES notation for 9-methyl-1,2-dihydropyrimido[4,5-b]indole?
The canonical SMILES for 9-methyl-1,2-dihydropyrimido[4,5-b]indole is Cn1c2c(c3ccccc31)C=NCN2.
What is the InChIKey of 9-methyl-1,2-dihydropyrimido[4,5-b]indole?
The InChIKey is VLBPUIGWWAHHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-14-10-5-3-2-4-8(10)9-6-12-7-13-11(9)14/h2-6,13H,7H2,1H3.
What are the key properties of 9-methyl-1,2-dihydropyrimido[4,5-b]indole?
9-methyl-1,2-dihydropyrimido[4,5-b]indole has a molecular weight of 185.23 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2-dihydropyrimido[4,5-b]indole is sourced from PubChem (CID 151226131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).