potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H19KN4O2 — CID 156857458

IUPACpotassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCO/C(C)=C/Cc1c[nH]c2ncnc(N)c12.[CH2-]OC.[K+]
InChIInChI=1S/C11H14N4O.C2H5O.K/c1-7(16-2)3-4-8-5-13-11-9(8)10(12)14-6-15-11;1-3-2;/h3,5-6H,4H2,1-2H3,(H3,12,13,14,15);1H2,2H3;/q;-1;+1/b7-3+;;
InChIKeyPMKZEFZUIKOAIA-BABLKGGBSA-N
MW302.42 g/mol
LogP-0.94
Rot. Bonds3

About potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156857458) has the molecular formula C13H19KN4O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Namepotassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156857458
Molecular FormulaC13H19KN4O2
Molecular Weight302.42 g/mol
Exact Mass302.11
IUPAC Namepotassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCO/C(C)=C/Cc1c[nH]c2ncnc(N)c12.[CH2-]OC.[K+]
InChIInChI=1S/C11H14N4O.C2H5O.K/c1-7(16-2)3-4-8-5-13-11-9(8)10(12)14-6-15-11;1-3-2;/h3,5-6H,4H2,1-2H3,(H3,12,13,14,15);1H2,2H3;/q;-1;+1/b7-3+;;
InChIKeyPMKZEFZUIKOAIA-BABLKGGBSA-N
XLogP-0.94
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150586957
butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 144752647
methyl 4-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate
CID 18984529
ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
CID 162382237
methyl 3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enoate
CID 169479802
(Z)-4-[4-(2-hydroxy-2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-isocyanobut-2-enenitrile
CID 123636002
(E)-5-(4-butan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pent-3-en-2-one
CID 118236935
5-(3-aminoprop-1-enyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 169464554
4-(2,2-dimethylpropoxy)-5-[(Z)-3-isocyanoprop-2-enyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 123677051
5-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 170807303
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009

Frequently Asked Questions

What is the IUPAC name of potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156857458) is potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CO/C(C)=C/Cc1c[nH]c2ncnc(N)c12.[CH2-]OC.[K+].
What is the InChIKey of potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PMKZEFZUIKOAIA-BABLKGGBSA-N. The full InChI is InChI=1S/C11H14N4O.C2H5O.K/c1-7(16-2)3-4-8-5-13-11-9(8)10(12)14-6-15-11;1-3-2;/h3,5-6H,4H2,1-2H3,(H3,12,13,14,15);1H2,2H3;/q;-1;+1/b7-3+;;.
What are the key properties of potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 302.42 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;methanidyloxymethane;5-[(E)-3-methoxybut-2-enyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156857458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).