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

C8H11N3O — CID 20979201

IUPAC4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESNC(=O)C1CCC2=NC=CCN21
InChIInChI=1S/C8H11N3O/c9-8(12)6-2-3-7-10-4-1-5-11(6)7/h1,4,6H,2-3,5H2,(H2,9,12)
InChIKeyXIEBRTRWWHDTNU-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.14
Rot. Bonds1

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

4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 20979201) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID20979201
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESNC(=O)C1CCC2=NC=CCN21
InChIInChI=1S/C8H11N3O/c9-8(12)6-2-3-7-10-4-1-5-11(6)7/h1,4,6H,2-3,5H2,(H2,9,12)
InChIKeyXIEBRTRWWHDTNU-UHFFFAOYSA-N
XLogP-0.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 20979201) is 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide is NC(=O)C1CCC2=NC=CCN21.
What is the InChIKey of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is XIEBRTRWWHDTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8(12)6-2-3-7-10-4-1-5-11(6)7/h1,4,6H,2-3,5H2,(H2,9,12).
What are the key properties of 4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide?
4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 165.20 g/mol, XLogP of -0.14, 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-carboxamide is sourced from PubChem (CID 20979201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).