methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium

C9H11N4+ — CID 170364581

IUPACmethyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium
SMILESC=[N+](C)c1ncnc2c1ccn2C
InChIInChI=1S/C9H11N4/c1-12(2)8-7-4-5-13(3)9(7)11-6-10-8/h4-6H,1H2,2-3H3/q+1
InChIKeyAXPNIPOLBWEYLV-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.94
Rot. Bonds1

About methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium

methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium (PubChem CID 170364581) has the molecular formula C9H11N4+ and a molecular weight of 175.21 g/mol. Its IUPAC name is methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium
PubChem CID170364581
Molecular FormulaC9H11N4+
Molecular Weight175.21 g/mol
Exact Mass175.10
IUPAC Namemethyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium
SMILESC=[N+](C)c1ncnc2c1ccn2C
InChIInChI=1S/C9H11N4/c1-12(2)8-7-4-5-13(3)9(7)11-6-10-8/h4-6H,1H2,2-3H3/q+1
InChIKeyAXPNIPOLBWEYLV-UHFFFAOYSA-N
XLogP0.94
TPSA33.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium?
The IUPAC name of methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium (CID 170364581) is methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium.
What is the SMILES notation for methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium?
The canonical SMILES for methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium is C=[N+](C)c1ncnc2c1ccn2C.
What is the InChIKey of methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium?
The InChIKey is AXPNIPOLBWEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N4/c1-12(2)8-7-4-5-13(3)9(7)11-6-10-8/h4-6H,1H2,2-3H3/q+1.
What are the key properties of methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium?
methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium has a molecular weight of 175.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)azanium is sourced from PubChem (CID 170364581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).