6,7-dihydro-5H-cyclopenta[d]pyrimidine

C7H8N2 — CID 11829418

IUPAC6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ncc2c(n1)CCC2
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h4-5H,1-3H2
InChIKeyBJUPTJXRJDXLHF-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.97
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[d]pyrimidine

6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 11829418) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID11829418
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ncc2c(n1)CCC2
InChIInChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h4-5H,1-3H2
InChIKeyBJUPTJXRJDXLHF-UHFFFAOYSA-N
XLogP0.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 11829418) is 6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ncc2c(n1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BJUPTJXRJDXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h4-5H,1-3H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[d]pyrimidine?
6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 120.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 11829418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).