ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid

C12H17N3O2 — CID 156649042

IUPACethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC.CCc1nc2ncc(C)cn2c1C(=O)O
InChIInChI=1S/C10H11N3O2.C2H6/c1-3-7-8(9(14)15)13-5-6(2)4-11-10(13)12-7;1-2/h4-5H,3H2,1-2H3,(H,14,15);1-2H3
InChIKeyBFWJRWJIWCDFAI-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.32
Rot. Bonds2

About ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid

ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 156649042) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID156649042
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC.CCc1nc2ncc(C)cn2c1C(=O)O
InChIInChI=1S/C10H11N3O2.C2H6/c1-3-7-8(9(14)15)13-5-6(2)4-11-10(13)12-7;1-2/h4-5H,3H2,1-2H3,(H,14,15);1-2H3
InChIKeyBFWJRWJIWCDFAI-UHFFFAOYSA-N
XLogP2.32
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-methyl-N-[[4-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126629
[1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carbonyl)amino]methyl]-2-fluorophenyl]-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 165126504
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342684
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126783
2-ethyl-6-methyl-N-[[2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]pyrimidin-5-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126668
8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024649
2-propylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 115405202
2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126726
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
CID 139342534
5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342703
3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342441

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 156649042) is ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid is CC.CCc1nc2ncc(C)cn2c1C(=O)O.
What is the InChIKey of ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is BFWJRWJIWCDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C2H6/c1-3-7-8(9(14)15)13-5-6(2)4-11-10(13)12-7;1-2/h4-5H,3H2,1-2H3,(H,14,15);1-2H3.
What are the key properties of ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 156649042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).