2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid

C14H12N2O2 — CID 139779339

IUPAC2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid
SMILESCc1cc(C)n2c(n1)c(C(=O)O)c1ccccc12
InChIInChI=1S/C14H12N2O2/c1-8-7-9(2)16-11-6-4-3-5-10(11)12(14(17)18)13(16)15-8/h3-7H,1-2H3,(H,17,18)
InChIKeyHFTKRARWLLLCNP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds1

About 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid

2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid (PubChem CID 139779339) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid
PubChem CID139779339
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid
SMILESCc1cc(C)n2c(n1)c(C(=O)O)c1ccccc12
InChIInChI=1S/C14H12N2O2/c1-8-7-9(2)16-11-6-4-3-5-10(11)12(14(17)18)13(16)15-8/h3-7H,1-2H3,(H,17,18)
InChIKeyHFTKRARWLLLCNP-UHFFFAOYSA-N
XLogP2.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,10-trimethylpyrimido[1,2-a]indole
CID 23517333
1-[4-[(2,4-dimethylpyrimido[1,2-a]indol-10-yl)methyl]phenyl]-N-methylcyclohexane-1-carboxamide
CID 142102961
5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31302853
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2472197
5-chloro-1-methylimidazo[1,2-a]quinoline-2-carboxylic acid
CID 14067511
5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 115405181
2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
CID 91690277
4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
2,4-dimethylpyrimido[1,2-b]indazole
CID 2320560
3,5-dimethylisoquinoline-1-carboxylic acid
CID 84670077

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid (CID 139779339) is 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid is Cc1cc(C)n2c(n1)c(C(=O)O)c1ccccc12.
What is the InChIKey of 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid?
The InChIKey is HFTKRARWLLLCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-7-9(2)16-11-6-4-3-5-10(11)12(14(17)18)13(16)15-8/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid?
2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 139779339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).