2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine

C7H10N2 — CID 146342829

IUPAC2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine
SMILESC1=CC2=NCCCN2C1
InChIInChI=1S/C7H10N2/c1-3-7-8-4-2-6-9(7)5-1/h1,3H,2,4-6H2
InChIKeyQAUVUZBOTPSLHS-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.66
Rot. Bonds

About 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine

2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine (PubChem CID 146342829) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine
PubChem CID146342829
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine
SMILESC1=CC2=NCCCN2C1
InChIInChI=1S/C7H10N2/c1-3-7-8-4-2-6-9(7)5-1/h1,3H,2,4-6H2
InChIKeyQAUVUZBOTPSLHS-UHFFFAOYSA-N
XLogP0.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine (CID 146342829) is 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine is C1=CC2=NCCCN2C1.
What is the InChIKey of 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is QAUVUZBOTPSLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-7-8-4-2-6-9(7)5-1/h1,3H,2,4-6H2.
What are the key properties of 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine?
2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 122.17 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 146342829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).