1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione

C7H10N2O2 — CID 10441894

IUPAC1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2CCCC2N1
InChIInChI=1S/C7H10N2O2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h4-5H,1-3H2,(H2,8,9,10,11)
InChIKeyIFHXYAIPRDPKCT-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.01
Rot. Bonds

About 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione

1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 10441894) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID10441894
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2CCCC2N1
InChIInChI=1S/C7H10N2O2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h4-5H,1-3H2,(H2,8,9,10,11)
InChIKeyIFHXYAIPRDPKCT-UHFFFAOYSA-N
XLogP-0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione (CID 10441894) is 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione is O=C1NC(=O)C2CCCC2N1.
What is the InChIKey of 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is IFHXYAIPRDPKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h4-5H,1-3H2,(H2,8,9,10,11).
What are the key properties of 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione?
1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 10441894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).