7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid

C18H15N3O2 — CID 91507303

IUPAC7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC1=Nc2nccn2C(c2cccc3ccccc23)C1C(=O)O
InChIInChI=1S/C18H15N3O2/c1-11-15(17(22)23)16(21-10-9-19-18(21)20-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,15-16H,1H3,(H,22,23)
InChIKeyPRUGDKQKOGMEER-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.43
Rot. Bonds2

About 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid

7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 91507303) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID91507303
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC1=Nc2nccn2C(c2cccc3ccccc23)C1C(=O)O
InChIInChI=1S/C18H15N3O2/c1-11-15(17(22)23)16(21-10-9-19-18(21)20-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,15-16H,1H3,(H,22,23)
InChIKeyPRUGDKQKOGMEER-UHFFFAOYSA-N
XLogP3.43
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 91507303) is 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid is CC1=Nc2nccn2C(c2cccc3ccccc23)C1C(=O)O.
What is the InChIKey of 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is PRUGDKQKOGMEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-15(17(22)23)16(21-10-9-19-18(21)20-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-10,15-16H,1H3,(H,22,23).
What are the key properties of 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid?
7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 91507303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).