5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione

C10H8N4O3S — CID 102085485

IUPAC5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESO=C1Nc2[nH]c(=O)[nH]c(=O)c2C(c2cccs2)N1
InChIInChI=1S/C10H8N4O3S/c15-8-5-6(4-2-1-3-18-4)11-9(16)12-7(5)13-10(17)14-8/h1-3,6H,(H4,11,12,13,14,15,16,17)
InChIKeyUKKZZZYCXGPHCX-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.35
Rot. Bonds1

About 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione

5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione (PubChem CID 102085485) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione
PubChem CID102085485
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESO=C1Nc2[nH]c(=O)[nH]c(=O)c2C(c2cccs2)N1
InChIInChI=1S/C10H8N4O3S/c15-8-5-6(4-2-1-3-18-4)11-9(16)12-7(5)13-10(17)14-8/h1-3,6H,(H4,11,12,13,14,15,16,17)
InChIKeyUKKZZZYCXGPHCX-UHFFFAOYSA-N
XLogP0.35
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (5R)-7-methyl-2,4-dioxo-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 1230172
(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29133033
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CID 23966374
12,14-bis(sulfanylidene)-9-thiophen-2-yl-2-oxa-4,6,11,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-5,7-dione
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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione (CID 102085485) is 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione is O=C1Nc2[nH]c(=O)[nH]c(=O)c2C(c2cccs2)N1.
What is the InChIKey of 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione?
The InChIKey is UKKZZZYCXGPHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S/c15-8-5-6(4-2-1-3-18-4)11-9(16)12-7(5)13-10(17)14-8/h1-3,6H,(H4,11,12,13,14,15,16,17).
What are the key properties of 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione?
5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione has a molecular weight of 264.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 102085485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).