1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine

C7H12N2 — CID 70215085

IUPAC1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1=CN2CCCNC2C1
InChIInChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1,5,7-8H,2-4,6H2
InChIKeyWDTFTIRZEYNJDS-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.53
Rot. Bonds

About 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine

1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 70215085) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID70215085
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1=CN2CCCNC2C1
InChIInChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1,5,7-8H,2-4,6H2
InChIKeyWDTFTIRZEYNJDS-UHFFFAOYSA-N
XLogP0.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine (CID 70215085) is 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine is C1=CN2CCCNC2C1.
What is the InChIKey of 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is WDTFTIRZEYNJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1,5,7-8H,2-4,6H2.
What are the key properties of 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine?
1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 70215085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).