3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one

C19H24N4O3S2 — CID 32983981

IUPAC3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(S[C@H](C)C(=O)N3CCNC3=O)n(C3CCCC3)c(=O)c2c1C
InChIInChI=1S/C19H24N4O3S2/c1-10-11(2)27-15-14(10)17(25)23(13-6-4-5-7-13)19(21-15)28-12(3)16(24)22-9-8-20-18(22)26/h12-13H,4-9H2,1-3H3,(H,20,26)/t12-/m1/s1
InChIKeyNOSLSHADIAFUSO-GFCCVEGCSA-N
MW420.56 g/mol
LogP3.22
Rot. Bonds4

About 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one

3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 32983981) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID32983981
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(S[C@H](C)C(=O)N3CCNC3=O)n(C3CCCC3)c(=O)c2c1C
InChIInChI=1S/C19H24N4O3S2/c1-10-11(2)27-15-14(10)17(25)23(13-6-4-5-7-13)19(21-15)28-12(3)16(24)22-9-8-20-18(22)26/h12-13H,4-9H2,1-3H3,(H,20,26)/t12-/m1/s1
InChIKeyNOSLSHADIAFUSO-GFCCVEGCSA-N
XLogP3.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide
CID 51209497
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46624071
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46623407
3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 55834090
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 46645171
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 51235914
3-ethyl-7-methyl-2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 46618999
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39066345
1-[(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]cyclopropane-1-carbonitrile
CID 71905568
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 2685504
5,6-dimethyl-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 30019093
3-cyclohexyl-2-[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2562813

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one (CID 32983981) is 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(S[C@H](C)C(=O)N3CCNC3=O)n(C3CCCC3)c(=O)c2c1C.
What is the InChIKey of 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is NOSLSHADIAFUSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-10-11(2)27-15-14(10)17(25)23(13-6-4-5-7-13)19(21-15)28-12(3)16(24)22-9-8-20-18(22)26/h12-13H,4-9H2,1-3H3,(H,20,26)/t12-/m1/s1.
What are the key properties of 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one?
3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 32983981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).