ethane;tris(4-methylpyrimidine)

C19H30N6 — CID 143707400

IUPACethane;tris(4-methylpyrimidine)
SMILESCC.CC.Cc1ccncn1.Cc1ccncn1.Cc1ccncn1
InChIInChI=1S/3C5H6N2.2C2H6/c3*1-5-2-3-6-4-7-5;2*1-2/h3*2-4H,1H3;2*1-2H3
InChIKeyREAZSMRIWLCQJR-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.41
Rot. Bonds

About ethane;tris(4-methylpyrimidine)

ethane;tris(4-methylpyrimidine) (PubChem CID 143707400) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is ethane;tris(4-methylpyrimidine).

Molecular Properties

Compound Nameethane;tris(4-methylpyrimidine)
PubChem CID143707400
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Nameethane;tris(4-methylpyrimidine)
SMILESCC.CC.Cc1ccncn1.Cc1ccncn1.Cc1ccncn1
InChIInChI=1S/3C5H6N2.2C2H6/c3*1-5-2-3-6-4-7-5;2*1-2/h3*2-4H,1H3;2*1-2H3
InChIKeyREAZSMRIWLCQJR-UHFFFAOYSA-N
XLogP4.41
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;tris(4-methylpyrimidine)?
The IUPAC name of ethane;tris(4-methylpyrimidine) (CID 143707400) is ethane;tris(4-methylpyrimidine).
What is the SMILES notation for ethane;tris(4-methylpyrimidine)?
The canonical SMILES for ethane;tris(4-methylpyrimidine) is CC.CC.Cc1ccncn1.Cc1ccncn1.Cc1ccncn1.
What is the InChIKey of ethane;tris(4-methylpyrimidine)?
The InChIKey is REAZSMRIWLCQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6N2.2C2H6/c3*1-5-2-3-6-4-7-5;2*1-2/h3*2-4H,1H3;2*1-2H3.
What are the key properties of ethane;tris(4-methylpyrimidine)?
ethane;tris(4-methylpyrimidine) has a molecular weight of 342.49 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(4-methylpyrimidine) is sourced from PubChem (CID 143707400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).