(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione

C12H12N4O3S — CID 29133033

IUPAC(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H](c1cccs1)NC(=O)N2
InChIInChI=1S/C12H12N4O3S/c1-15-9-7(10(17)16(2)12(15)19)8(13-11(18)14-9)6-4-3-5-20-6/h3-5,8H,1-2H3,(H2,13,14,18)/t8-/m0/s1
InChIKeyUHPLAEPJSZWHNM-QMMMGPOBSA-N
MW292.32 g/mol
LogP0.37
Rot. Bonds1

About (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione

(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione (PubChem CID 29133033) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
PubChem CID29133033
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H](c1cccs1)NC(=O)N2
InChIInChI=1S/C12H12N4O3S/c1-15-9-7(10(17)16(2)12(15)19)8(13-11(18)14-9)6-4-3-5-20-6/h3-5,8H,1-2H3,(H2,13,14,18)/t8-/m0/s1
InChIKeyUHPLAEPJSZWHNM-QMMMGPOBSA-N
XLogP0.37
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione with MolForge

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Related Compounds

5-thiophen-2-yl-1,5,6,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 102085485
ethyl (4S)-6-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41477452
3,8,8-trimethyl-1-(2-methylpropyl)-5-thiophen-2-yl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 3898358
1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 137011069
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione
CID 4780164
tert-butyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2908809
ethyl 2-oxo-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4652033
1-(4-chlorophenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653516
3-methyl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 115282367
(4R)-4-thiophen-2-yl-6-(thiophen-2-ylmethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42548079
2-phenylethyl (4S)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 743217

Frequently Asked Questions

What is the IUPAC name of (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The IUPAC name of (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione (CID 29133033) is (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The canonical SMILES for (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione is Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccs1)NC(=O)N2.
What is the InChIKey of (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The InChIKey is UHPLAEPJSZWHNM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-15-9-7(10(17)16(2)12(15)19)8(13-11(18)14-9)6-4-3-5-20-6/h3-5,8H,1-2H3,(H2,13,14,18)/t8-/m0/s1.
What are the key properties of (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione has a molecular weight of 292.32 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 29133033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).