ethane;5-methylpyrimidine

C9H18N2 — CID 91482227

IUPACethane;5-methylpyrimidine
SMILESCC.CC.Cc1cncnc1
InChIInChI=1S/C5H6N2.2C2H6/c1-5-2-6-4-7-3-5;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyABBPNENZVLOJQN-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.84
Rot. Bonds

About ethane;5-methylpyrimidine

ethane;5-methylpyrimidine (PubChem CID 91482227) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;5-methylpyrimidine.

Molecular Properties

Compound Nameethane;5-methylpyrimidine
PubChem CID91482227
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;5-methylpyrimidine
SMILESCC.CC.Cc1cncnc1
InChIInChI=1S/C5H6N2.2C2H6/c1-5-2-6-4-7-3-5;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyABBPNENZVLOJQN-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
CID 159849865
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
CID 158219672
4-aminobenzenesulfonamide;5-methylpyrimidine
CID 174451060
CID 174996178
CID 174996178
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 165070949
5-(4-methylphenyl)pyrimidine;propane
CID 145118133
ethane;pyrimidin-5-ylboronic acid
CID 143168754
ethane;3-fluoro-5-methylpyridine
CID 142820910
5-[2-(4-methylphenyl)ethynyl]pyrimidine
CID 44593410
ethane;5-methylpyridine-3-thiol
CID 144877949
ethane;3-methylpyridine;hydroiodide
CID 143140941
5-methoxypyrimidine;toluene
CID 174259808

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylpyrimidine?
The IUPAC name of ethane;5-methylpyrimidine (CID 91482227) is ethane;5-methylpyrimidine.
What is the SMILES notation for ethane;5-methylpyrimidine?
The canonical SMILES for ethane;5-methylpyrimidine is CC.CC.Cc1cncnc1.
What is the InChIKey of ethane;5-methylpyrimidine?
The InChIKey is ABBPNENZVLOJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.2C2H6/c1-5-2-6-4-7-3-5;2*1-2/h2-4H,1H3;2*1-2H3.
What are the key properties of ethane;5-methylpyrimidine?
ethane;5-methylpyrimidine has a molecular weight of 154.26 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylpyrimidine is sourced from PubChem (CID 91482227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).