ethane;2-methylidene-1H-pyrimidine

C7H12N2 — CID 90832574

IUPACethane;2-methylidene-1H-pyrimidine
SMILESC=C1N=CC=CN1.CC
InChIInChI=1S/C5H6N2.C2H6/c1-5-6-3-2-4-7-5;1-2/h2-4,6H,1H2;1-2H3
InChIKeyPCZBMIDOPUOHRT-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds

About ethane;2-methylidene-1H-pyrimidine

ethane;2-methylidene-1H-pyrimidine (PubChem CID 90832574) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is ethane;2-methylidene-1H-pyrimidine.

Molecular Properties

Compound Nameethane;2-methylidene-1H-pyrimidine
PubChem CID90832574
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Nameethane;2-methylidene-1H-pyrimidine
SMILESC=C1N=CC=CN1.CC
InChIInChI=1S/C5H6N2.C2H6/c1-5-6-3-2-4-7-5;1-2/h2-4,6H,1H2;1-2H3
InChIKeyPCZBMIDOPUOHRT-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-1H-pyrimidine?
The IUPAC name of ethane;2-methylidene-1H-pyrimidine (CID 90832574) is ethane;2-methylidene-1H-pyrimidine.
What is the SMILES notation for ethane;2-methylidene-1H-pyrimidine?
The canonical SMILES for ethane;2-methylidene-1H-pyrimidine is C=C1N=CC=CN1.CC.
What is the InChIKey of ethane;2-methylidene-1H-pyrimidine?
The InChIKey is PCZBMIDOPUOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C2H6/c1-5-6-3-2-4-7-5;1-2/h2-4,6H,1H2;1-2H3.
What are the key properties of ethane;2-methylidene-1H-pyrimidine?
ethane;2-methylidene-1H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-1H-pyrimidine is sourced from PubChem (CID 90832574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).