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

C8H14N2 — CID 139375522

IUPAC2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESCC1CCN2CCCC2=N1
InChIInChI=1S/C8H14N2/c1-7-4-6-10-5-2-3-8(10)9-7/h7H,2-6H2,1H3
InChIKeyMXPKTPXQGIJVRU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.27
Rot. Bonds

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

2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 139375522) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID139375522
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESCC1CCN2CCCC2=N1
InChIInChI=1S/C8H14N2/c1-7-4-6-10-5-2-3-8(10)9-7/h7H,2-6H2,1H3
InChIKeyMXPKTPXQGIJVRU-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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Related Compounds

1,5-Diazabicyclo(4.3.0)non-5-ene
CID 76349
Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
CID 118719136
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
1,4,5,6-Tetrahydro-1,2,4-trimethylpyrimidine
CID 40795
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
6-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808125
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
N-cyclopropyl-1-methylpyrrolidin-2-imine
CID 90654276
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bromide
CID 15935235
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide
CID 19608297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (CID 139375522) is 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is CC1CCN2CCCC2=N1.
What is the InChIKey of 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is MXPKTPXQGIJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-4-6-10-5-2-3-8(10)9-7/h7H,2-6H2,1H3.
What are the key properties of 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
2-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 2-methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 139375522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).