5-methyl-4-methylidenecyclopenta[d]pyrimidine

C9H8N2 — CID 140956189

IUPAC5-methyl-4-methylidenecyclopenta[d]pyrimidine
SMILESC=c1ncnc2c1=C(C)C=C2
InChIInChI=1S/C9H8N2/c1-6-3-4-8-9(6)7(2)10-5-11-8/h3-5H,2H2,1H3
InChIKeyUUSAOFWDZWYSJF-UHFFFAOYSA-N
MW144.18 g/mol
LogP0.08
Rot. Bonds

About 5-methyl-4-methylidenecyclopenta[d]pyrimidine

5-methyl-4-methylidenecyclopenta[d]pyrimidine (PubChem CID 140956189) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 5-methyl-4-methylidenecyclopenta[d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-methylidenecyclopenta[d]pyrimidine
PubChem CID140956189
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name5-methyl-4-methylidenecyclopenta[d]pyrimidine
SMILESC=c1ncnc2c1=C(C)C=C2
InChIInChI=1S/C9H8N2/c1-6-3-4-8-9(6)7(2)10-5-11-8/h3-5H,2H2,1H3
InChIKeyUUSAOFWDZWYSJF-UHFFFAOYSA-N
XLogP0.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidenecyclopenta[d]pyrimidine?
The IUPAC name of 5-methyl-4-methylidenecyclopenta[d]pyrimidine (CID 140956189) is 5-methyl-4-methylidenecyclopenta[d]pyrimidine.
What is the SMILES notation for 5-methyl-4-methylidenecyclopenta[d]pyrimidine?
The canonical SMILES for 5-methyl-4-methylidenecyclopenta[d]pyrimidine is C=c1ncnc2c1=C(C)C=C2.
What is the InChIKey of 5-methyl-4-methylidenecyclopenta[d]pyrimidine?
The InChIKey is UUSAOFWDZWYSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-6-3-4-8-9(6)7(2)10-5-11-8/h3-5H,2H2,1H3.
What are the key properties of 5-methyl-4-methylidenecyclopenta[d]pyrimidine?
5-methyl-4-methylidenecyclopenta[d]pyrimidine has a molecular weight of 144.18 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidenecyclopenta[d]pyrimidine is sourced from PubChem (CID 140956189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).