4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

C8H10N2O2 — CID 141472787

IUPAC4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CCC2=NC=CCN21
InChIInChI=1S/C8H10N2O2/c11-8(12)6-2-3-7-9-4-1-5-10(6)7/h1,4,6H,2-3,5H2,(H,11,12)
InChIKeyZRZCCNJSLVBXAF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.46
Rot. Bonds1

About 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 141472787) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID141472787
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CCC2=NC=CCN21
InChIInChI=1S/C8H10N2O2/c11-8(12)6-2-3-7-9-4-1-5-10(6)7/h1,4,6H,2-3,5H2,(H,11,12)
InChIKeyZRZCCNJSLVBXAF-UHFFFAOYSA-N
XLogP0.46
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxo-4,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidine-6-carboxylic acid, (S)-
CID 57907501
4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 68059052
(6S)-2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 132146682
(6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 137254593
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 140116426
formaldehyde;methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 143873424
Ethyl 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 151609230
CID 176144267
CID 176144267
(R)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 124637857
methyl (6S)-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 143873425
5-Oxo-4,7,8,9-tetrahydropyrrolo[1,2-a][1,3]diazepine-7-carboxylic acid
CID 145568779
1-formyl-5-[(Z)-prop-1-enyl]iminopyrrolidine-2-carboxylic acid
CID 145568788

Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid (CID 141472787) is 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid is O=C(O)C1CCC2=NC=CCN21.
What is the InChIKey of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is ZRZCCNJSLVBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)6-2-3-7-9-4-1-5-10(6)7/h1,4,6H,2-3,5H2,(H,11,12).
What are the key properties of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 141472787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).