6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid

C20H22N4O3 — CID 122571829

IUPAC6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC(C)N(C(=O)c1ccccc1-c1cnc2nc(C(=O)O)cn2c1)C(C)C
InChIInChI=1S/C20H22N4O3/c1-12(2)24(13(3)4)18(25)16-8-6-5-7-15(16)14-9-21-20-22-17(19(26)27)11-23(20)10-14/h5-13H,1-4H3,(H,26,27)
InChIKeyMUGMRZLEAUTDII-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.35
Rot. Bonds5

About 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid

6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 122571829) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID122571829
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC(C)N(C(=O)c1ccccc1-c1cnc2nc(C(=O)O)cn2c1)C(C)C
InChIInChI=1S/C20H22N4O3/c1-12(2)24(13(3)4)18(25)16-8-6-5-7-15(16)14-9-21-20-22-17(19(26)27)11-23(20)10-14/h5-13H,1-4H3,(H,26,27)
InChIKeyMUGMRZLEAUTDII-UHFFFAOYSA-N
XLogP3.35
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 122571829) is 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid is CC(C)N(C(=O)c1ccccc1-c1cnc2nc(C(=O)O)cn2c1)C(C)C.
What is the InChIKey of 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is MUGMRZLEAUTDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12(2)24(13(3)4)18(25)16-8-6-5-7-15(16)14-9-21-20-22-17(19(26)27)11-23(20)10-14/h5-13H,1-4H3,(H,26,27).
What are the key properties of 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid?
6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yl)carbamoyl]phenyl]imidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 122571829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).