4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one

C15H20N4O3S — CID 59686274

IUPAC4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(C3CCCC3)nc3c2CS(=O)(=O)C3)CCN1
InChIInChI=1S/C15H20N4O3S/c20-13-7-19(6-5-16-13)15-11-8-23(21,22)9-12(11)17-14(18-15)10-3-1-2-4-10/h10H,1-9H2,(H,16,20)
InChIKeyOIINSZQONQUEPM-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.50
Rot. Bonds2

About 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one

4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 59686274) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one
PubChem CID59686274
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(C3CCCC3)nc3c2CS(=O)(=O)C3)CCN1
InChIInChI=1S/C15H20N4O3S/c20-13-7-19(6-5-16-13)15-11-8-23(21,22)9-12(11)17-14(18-15)10-3-1-2-4-10/h10H,1-9H2,(H,16,20)
InChIKeyOIINSZQONQUEPM-UHFFFAOYSA-N
XLogP0.50
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one (CID 59686274) is 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one is O=C1CN(c2nc(C3CCCC3)nc3c2CS(=O)(=O)C3)CCN1.
What is the InChIKey of 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is OIINSZQONQUEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-13-7-19(6-5-16-13)15-11-8-23(21,22)9-12(11)17-14(18-15)10-3-1-2-4-10/h10H,1-9H2,(H,16,20).
What are the key properties of 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one?
4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 336.42 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 59686274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).