1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine

C7H12N2 — CID 139939837

IUPAC1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine
SMILESC1=CC2CCCN2CN1
InChIInChI=1S/C7H12N2/c1-2-7-3-4-8-6-9(7)5-1/h3-4,7-8H,1-2,5-6H2
InChIKeyOTGVLDCQDKKUBS-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.53
Rot. Bonds

About 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine

1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine (PubChem CID 139939837) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine
PubChem CID139939837
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine
SMILESC1=CC2CCCN2CN1
InChIInChI=1S/C7H12N2/c1-2-7-3-4-8-6-9(7)5-1/h3-4,7-8H,1-2,5-6H2
InChIKeyOTGVLDCQDKKUBS-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 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
The IUPAC name of 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine (CID 139939837) is 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine is C1=CC2CCCN2CN1.
What is the InChIKey of 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
The InChIKey is OTGVLDCQDKKUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-7-3-4-8-6-9(7)5-1/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine?
1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]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 1,2,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 139939837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).