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

C8H14N2 — CID 22670659

IUPAC8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESCC1CCN2CCCN=C12
InChIInChI=1S/C8H14N2/c1-7-3-6-10-5-2-4-9-8(7)10/h7H,2-6H2,1H3
InChIKeyIAFZYVIUBHCGOG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.13
Rot. Bonds

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

8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 22670659) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID22670659
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESCC1CCN2CCCN=C12
InChIInChI=1S/C8H14N2/c1-7-3-6-10-5-2-4-9-8(7)10/h7H,2-6H2,1H3
InChIKeyIAFZYVIUBHCGOG-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Diazabicyclo(4.3.0)non-5-ene
CID 76349
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
CID 118719136
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
7-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808206
Lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide
CID 134940683
1,4,5,6-Tetrahydro-1,2-bis(2-methylpropyl)pyrimidine
CID 14457266
1-butyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 15085002
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bromide
CID 15935235
3-(Aminomethyl)-3-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 18407487
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide
CID 19608297
5-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
CID 19871527
1-methyl-2-(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
CID 21613613

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (CID 22670659) is 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is CC1CCN2CCCN=C12.
What is the InChIKey of 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is IAFZYVIUBHCGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-3-6-10-5-2-4-9-8(7)10/h7H,2-6H2,1H3.
What are the key properties of 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 138.21 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 8-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 22670659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).