2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

C14H24N4 — CID 157342676

IUPAC2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.C1CN=C2CCCN2C1
InChIInChI=1S/2C7H12N2/c2*1-3-7-8-4-2-6-9(7)5-1/h2*1-6H2
InChIKeyBGOUQWZWCWQOHF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.77
Rot. Bonds

About 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 157342676) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID157342676
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.C1CN=C2CCCN2C1
InChIInChI=1S/2C7H12N2/c2*1-3-7-8-4-2-6-9(7)5-1/h2*1-6H2
InChIKeyBGOUQWZWCWQOHF-UHFFFAOYSA-N
XLogP1.77
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (CID 157342676) is 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is C1CN=C2CCCN2C1.C1CN=C2CCCN2C1.
What is the InChIKey of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is BGOUQWZWCWQOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2/c2*1-3-7-8-4-2-6-9(7)5-1/h2*1-6H2.
What are the key properties of 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 248.37 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 157342676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).