2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid

C14H15N3O2 — CID 136995529

IUPAC2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccccc1-c1nc2n(c1C(=O)O)CCCN2
InChIInChI=1S/C14H15N3O2/c1-9-5-2-3-6-10(9)11-12(13(18)19)17-8-4-7-15-14(17)16-11/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyLWOYDPALMGNRAB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.37
Rot. Bonds2

About 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid

2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 136995529) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID136995529
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccccc1-c1nc2n(c1C(=O)O)CCCN2
InChIInChI=1S/C14H15N3O2/c1-9-5-2-3-6-10(9)11-12(13(18)19)17-8-4-7-15-14(17)16-11/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyLWOYDPALMGNRAB-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 136995657
2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 136995515
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 136995559
2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 136995601
2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995436
8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one
CID 136826742
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 136995780
2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 136995551
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
CID 65207542
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 136995529) is 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid is Cc1ccccc1-c1nc2n(c1C(=O)O)CCCN2.
What is the InChIKey of 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is LWOYDPALMGNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-5-2-3-6-10(9)11-12(13(18)19)17-8-4-7-15-14(17)16-11/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid?
2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 136995529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).