4,8-dihydropyrrolo[1,2-a]pyrimidine

C7H8N2 — CID 118369224

IUPAC4,8-dihydropyrrolo[1,2-a]pyrimidine
SMILESC1=CN2CC=CN=C2C1
InChIInChI=1S/C7H8N2/c1-3-7-8-4-2-6-9(7)5-1/h1-2,4-5H,3,6H2
InChIKeyIVJNUSIFHGRQRP-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.13
Rot. Bonds

About 4,8-dihydropyrrolo[1,2-a]pyrimidine

4,8-dihydropyrrolo[1,2-a]pyrimidine (PubChem CID 118369224) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4,8-dihydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name4,8-dihydropyrrolo[1,2-a]pyrimidine
PubChem CID118369224
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4,8-dihydropyrrolo[1,2-a]pyrimidine
SMILESC1=CN2CC=CN=C2C1
InChIInChI=1S/C7H8N2/c1-3-7-8-4-2-6-9(7)5-1/h1-2,4-5H,3,6H2
InChIKeyIVJNUSIFHGRQRP-UHFFFAOYSA-N
XLogP1.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dihydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 4,8-dihydropyrrolo[1,2-a]pyrimidine (CID 118369224) is 4,8-dihydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 4,8-dihydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 4,8-dihydropyrrolo[1,2-a]pyrimidine is C1=CN2CC=CN=C2C1.
What is the InChIKey of 4,8-dihydropyrrolo[1,2-a]pyrimidine?
The InChIKey is IVJNUSIFHGRQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-7-8-4-2-6-9(7)5-1/h1-2,4-5H,3,6H2.
What are the key properties of 4,8-dihydropyrrolo[1,2-a]pyrimidine?
4,8-dihydropyrrolo[1,2-a]pyrimidine has a molecular weight of 120.15 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 118369224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).