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

C8H14N2 — CID 22670660

IUPAC4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESCC1CCN=C2CCCN21
InChIInChI=1S/C8H14N2/c1-7-4-5-9-8-3-2-6-10(7)8/h7H,2-6H2,1H3
InChIKeyVTFAVMTZJLDCDB-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.27
Rot. Bonds

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

4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 22670660) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID22670660
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESCC1CCN=C2CCCN21
InChIInChI=1S/C8H14N2/c1-7-4-5-9-8-3-2-6-10(7)8/h7H,2-6H2,1H3
InChIKeyVTFAVMTZJLDCDB-UHFFFAOYSA-N
XLogP1.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (CID 22670660) is 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is CC1CCN=C2CCCN21.
What is the InChIKey of 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is VTFAVMTZJLDCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-4-5-9-8-3-2-6-10(7)8/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 22670660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).