methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium

C9H13N3 — CID 58832445

IUPACmethanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium
SMILESC=C(C)c1cnc([NH2+][CH2-])nc1C
InChIInChI=1S/C9H13N3/c1-6(2)8-5-11-9(10-4)12-7(8)3/h5H,1,4,10H2,2-3H3
InChIKeyFPFMPXKGYATGDJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.80
Rot. Bonds2

About methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium

methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium (PubChem CID 58832445) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium.

Molecular Properties

Compound Namemethanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium
PubChem CID58832445
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Namemethanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium
SMILESC=C(C)c1cnc([NH2+][CH2-])nc1C
InChIInChI=1S/C9H13N3/c1-6(2)8-5-11-9(10-4)12-7(8)3/h5H,1,4,10H2,2-3H3
InChIKeyFPFMPXKGYATGDJ-UHFFFAOYSA-N
XLogP0.80
TPSA42.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium?
The IUPAC name of methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium (CID 58832445) is methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium.
What is the SMILES notation for methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium?
The canonical SMILES for methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium is C=C(C)c1cnc([NH2+][CH2-])nc1C.
What is the InChIKey of methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium?
The InChIKey is FPFMPXKGYATGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6(2)8-5-11-9(10-4)12-7(8)3/h5H,1,4,10H2,2-3H3.
What are the key properties of methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium?
methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium has a molecular weight of 163.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(4-methyl-5-prop-1-en-2-ylpyrimidin-2-yl)azanium is sourced from PubChem (CID 58832445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).