4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione

C11H14N2O2 — CID 83861342

IUPAC4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione
SMILESCC(C)(C)c1nc(=O)[nH]c2c1C(=O)CC2
InChIInChI=1S/C11H14N2O2/c1-11(2,3)9-8-6(4-5-7(8)14)12-10(15)13-9/h4-5H2,1-3H3,(H,12,13,15)
InChIKeyDJLHQRUVOBYDBC-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.20
Rot. Bonds

About 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione

4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione (PubChem CID 83861342) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione
PubChem CID83861342
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione
SMILESCC(C)(C)c1nc(=O)[nH]c2c1C(=O)CC2
InChIInChI=1S/C11H14N2O2/c1-11(2,3)9-8-6(4-5-7(8)14)12-10(15)13-9/h4-5H2,1-3H3,(H,12,13,15)
InChIKeyDJLHQRUVOBYDBC-UHFFFAOYSA-N
XLogP1.20
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione?
The IUPAC name of 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione (CID 83861342) is 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione?
The canonical SMILES for 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione is CC(C)(C)c1nc(=O)[nH]c2c1C(=O)CC2.
What is the InChIKey of 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione?
The InChIKey is DJLHQRUVOBYDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,3)9-8-6(4-5-7(8)14)12-10(15)13-9/h4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione?
4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione has a molecular weight of 206.24 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,5-dione is sourced from PubChem (CID 83861342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).