7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium

C7H8N3+ — CID 140851081

IUPAC7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium
SMILESCC1=CC2C=NC=[N+]2C=N1
InChIInChI=1S/C7H8N3/c1-6-2-7-3-8-4-10(7)5-9-6/h2-5,7H,1H3/q+1
InChIKeyYUGRPPTXWWBBGZ-UHFFFAOYSA-N
MW134.16 g/mol
LogP0.43
Rot. Bonds

About 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium

7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium (PubChem CID 140851081) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium.

Molecular Properties

Compound Name7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium
PubChem CID140851081
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium
SMILESCC1=CC2C=NC=[N+]2C=N1
InChIInChI=1S/C7H8N3/c1-6-2-7-3-8-4-10(7)5-9-6/h2-5,7H,1H3/q+1
InChIKeyYUGRPPTXWWBBGZ-UHFFFAOYSA-N
XLogP0.43
TPSA27.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6H-imidazo[4,5-b]pyridin-4-ium
CID 56990879
3,4,6-trimethyl-4H-pyrimidine
CID 122691160
6-ethyl-3-methyl-4H-pyrimidine
CID 138546854
ethane;5-methyl-8aH-imidazo[1,5-a]pyridin-4-ium
CID 171628303
7-methyl-8aH-imidazo[1,2-c]pyrimidin-4-ium
CID 140818673
6H-pyrrolo[1,2-c]pyrimidin-8-ium
CID 141651730
5-methyl-8aH-imidazo[1,5-a]pyridin-4-ium
CID 171628304

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium?
The IUPAC name of 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium (CID 140851081) is 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium.
What is the SMILES notation for 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium?
The canonical SMILES for 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium is CC1=CC2C=NC=[N+]2C=N1.
What is the InChIKey of 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium?
The InChIKey is YUGRPPTXWWBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c1-6-2-7-3-8-4-10(7)5-9-6/h2-5,7H,1H3/q+1.
What are the key properties of 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium?
7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium has a molecular weight of 134.16 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8aH-imidazo[1,5-c]pyrimidin-4-ium is sourced from PubChem (CID 140851081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).