2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H18N4O2 — CID 102895144

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESO=C(O)C1C2CCCC2CN1Cc1cn2cccnc2n1
InChIInChI=1S/C15H18N4O2/c20-14(21)13-12-4-1-3-10(12)7-19(13)9-11-8-18-6-2-5-16-15(18)17-11/h2,5-6,8,10,12-13H,1,3-4,7,9H2,(H,20,21)
InChIKeyXAGQEEOHLJJUDK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.41
Rot. Bonds3

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102895144) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102895144
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESO=C(O)C1C2CCCC2CN1Cc1cn2cccnc2n1
InChIInChI=1S/C15H18N4O2/c20-14(21)13-12-4-1-3-10(12)7-19(13)9-11-8-18-6-2-5-16-15(18)17-11/h2,5-6,8,10,12-13H,1,3-4,7,9H2,(H,20,21)
InChIKeyXAGQEEOHLJJUDK-UHFFFAOYSA-N
XLogP1.41
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102895144) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is O=C(O)C1C2CCCC2CN1Cc1cn2cccnc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is XAGQEEOHLJJUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(21)13-12-4-1-3-10(12)7-19(13)9-11-8-18-6-2-5-16-15(18)17-11/h2,5-6,8,10,12-13H,1,3-4,7,9H2,(H,20,21).
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102895144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).