10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole

C21H17N3 — CID 121298587

IUPAC10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ncccn1
InChIInChI=1S/C21H17N3/c1-21(2)16-10-5-3-8-14(16)19-18(21)15-9-4-6-11-17(15)24(19)20-22-12-7-13-23-20/h3-13H,1-2H3
InChIKeyBKHABOIYFYQQNF-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.73
Rot. Bonds1

About 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole

10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole (PubChem CID 121298587) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole.

Molecular Properties

Compound Name10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
PubChem CID121298587
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ncccn1
InChIInChI=1S/C21H17N3/c1-21(2)16-10-5-3-8-14(16)19-18(21)15-9-4-6-11-17(15)24(19)20-22-12-7-13-23-20/h3-13H,1-2H3
InChIKeyBKHABOIYFYQQNF-UHFFFAOYSA-N
XLogP4.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
CID 145009985
10,10-dimethyl-5-(1-phenylbenzimidazol-4-yl)indeno[1,2-b]indole
CID 121285583
14,14-dimethyl-9-pyrimidin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502300
5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole
CID 164771283
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545787
5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine
CID 141433409
22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129254777

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole?
The IUPAC name of 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole (CID 121298587) is 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole.
What is the SMILES notation for 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole?
The canonical SMILES for 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole is CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ncccn1.
What is the InChIKey of 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole?
The InChIKey is BKHABOIYFYQQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-21(2)16-10-5-3-8-14(16)19-18(21)15-9-4-6-11-17(15)24(19)20-22-12-7-13-23-20/h3-13H,1-2H3.
What are the key properties of 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole?
10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole has a molecular weight of 311.39 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole is sourced from PubChem (CID 121298587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).