4H-cyclopenta[d]pyrimidine

C7H6N2 — CID 45080556

IUPAC4H-cyclopenta[d]pyrimidine
SMILESC1=CC2=NC=NCC2=C1
InChIInChI=1S/C7H6N2/c1-2-6-4-8-5-9-7(6)3-1/h1-3,5H,4H2
InChIKeyJIGKYDDEKMMFFD-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.97
Rot. Bonds

About 4H-cyclopenta[d]pyrimidine

4H-cyclopenta[d]pyrimidine (PubChem CID 45080556) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 4H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4H-cyclopenta[d]pyrimidine
PubChem CID45080556
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name4H-cyclopenta[d]pyrimidine
SMILESC1=CC2=NC=NCC2=C1
InChIInChI=1S/C7H6N2/c1-2-6-4-8-5-9-7(6)3-1/h1-3,5H,4H2
InChIKeyJIGKYDDEKMMFFD-UHFFFAOYSA-N
XLogP0.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-cyclopenta[d]pyrimidine?
The IUPAC name of 4H-cyclopenta[d]pyrimidine (CID 45080556) is 4H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4H-cyclopenta[d]pyrimidine is C1=CC2=NC=NCC2=C1.
What is the InChIKey of 4H-cyclopenta[d]pyrimidine?
The InChIKey is JIGKYDDEKMMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-4-8-5-9-7(6)3-1/h1-3,5H,4H2.
What are the key properties of 4H-cyclopenta[d]pyrimidine?
4H-cyclopenta[d]pyrimidine has a molecular weight of 118.14 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 4H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 45080556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).