ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine

C15H25N3 — CID 158451911

IUPACethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine
SMILESC=C1C=CC=CN1.C=C1N=CC=CN1.CC.CC
InChIInChI=1S/C6H7N.C5H6N2.2C2H6/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;2*1-2/h2-5,7H,1H2;2-4,6H,1H2;2*1-2H3
InChIKeyHECGLULVDABVTB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.87
Rot. Bonds

About ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine

ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine (PubChem CID 158451911) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine.

Molecular Properties

Compound Nameethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine
PubChem CID158451911
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Nameethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine
SMILESC=C1C=CC=CN1.C=C1N=CC=CN1.CC.CC
InChIInChI=1S/C6H7N.C5H6N2.2C2H6/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;2*1-2/h2-5,7H,1H2;2-4,6H,1H2;2*1-2H3
InChIKeyHECGLULVDABVTB-UHFFFAOYSA-N
XLogP3.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine?
The IUPAC name of ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine (CID 158451911) is ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine.
What is the SMILES notation for ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine?
The canonical SMILES for ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine is C=C1C=CC=CN1.C=C1N=CC=CN1.CC.CC.
What is the InChIKey of ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine?
The InChIKey is HECGLULVDABVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H6N2.2C2H6/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;2*1-2/h2-5,7H,1H2;2-4,6H,1H2;2*1-2H3.
What are the key properties of ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine?
ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-1H-pyridine;2-methylidene-1H-pyrimidine is sourced from PubChem (CID 158451911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).