2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine

C11H17N5 — CID 137125536

IUPAC2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCc1ncc(C)cn1
InChIInChI=1S/C11H17N5/c1-3-5-13-11(12)14-6-4-10-15-7-9(2)8-16-10/h3,7-8H,1,4-6H2,2H3,(H3,12,13,14)
InChIKeyLTSYUGBMBMMKHG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.42
Rot. Bonds5

About 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine

2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine (PubChem CID 137125536) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine
PubChem CID137125536
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCc1ncc(C)cn1
InChIInChI=1S/C11H17N5/c1-3-5-13-11(12)14-6-4-10-15-7-9(2)8-16-10/h3,7-8H,1,4-6H2,2H3,(H3,12,13,14)
InChIKeyLTSYUGBMBMMKHG-UHFFFAOYSA-N
XLogP0.42
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide
CID 137072714
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933
2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine
CID 111465365
1-prop-2-enyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine
CID 136741989
2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
CID 136700060
1-prop-2-enyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 136523766
2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 119119982
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine
CID 136678047
2-[2-(3-cyano-1,2,4-triazol-1-yl)ethyl]-1-prop-2-enylguanidine
CID 137158978
2-[4-(diethylamino)butyl]-1-prop-2-enylguanidine
CID 136700136
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine
CID 120602824
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-prop-2-enylguanidine
CID 136700148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine (CID 137125536) is 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCc1ncc(C)cn1.
What is the InChIKey of 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine?
The InChIKey is LTSYUGBMBMMKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-5-13-11(12)14-6-4-10-15-7-9(2)8-16-10/h3,7-8H,1,4-6H2,2H3,(H3,12,13,14).
What are the key properties of 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine?
2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine has a molecular weight of 219.29 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 137125536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).