2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide

C18H25N3O3S2 — CID 51454944

IUPAC2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide
SMILESCCc1c(C)sc2nc(SCC(=O)N(C)C)n(C[C@@H]3CCCO3)c(=O)c12
InChIInChI=1S/C18H25N3O3S2/c1-5-13-11(2)26-16-15(13)17(23)21(9-12-7-6-8-24-12)18(19-16)25-10-14(22)20(3)4/h12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyJRSAFMJVCLRNJM-LBPRGKRZSA-N
MW395.55 g/mol
LogP2.69
Rot. Bonds6

About 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide

2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide (PubChem CID 51454944) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide
PubChem CID51454944
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide
SMILESCCc1c(C)sc2nc(SCC(=O)N(C)C)n(C[C@@H]3CCCO3)c(=O)c12
InChIInChI=1S/C18H25N3O3S2/c1-5-13-11(2)26-16-15(13)17(23)21(9-12-7-6-8-24-12)18(19-16)25-10-14(22)20(3)4/h12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyJRSAFMJVCLRNJM-LBPRGKRZSA-N
XLogP2.69
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[5-ethyl-6-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-pentylacetamide
CID 55401816
2-[5-ethyl-6-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenyl-N-prop-2-enylacetamide
CID 45354090
2-[2-[5-ethyl-6-methyl-4-oxo-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl]isoindole-1,3-dione
CID 16511291
5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 42928810
5-ethyl-6-methyl-3-[[(2S)-oxolan-2-yl]methyl]-2-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 35159818
N,N-dimethyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869023
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7823877
2-[[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 7557743
propan-2-yl 2-[[12-oxo-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
CID 7836851
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2492009
2-[[4-oxo-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 42975122
(2R)-N,N-dimethyl-2-[[12-oxo-11-[[(2S)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]propanamide
CID 8600949

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide (CID 51454944) is 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide is CCc1c(C)sc2nc(SCC(=O)N(C)C)n(C[C@@H]3CCCO3)c(=O)c12.
What is the InChIKey of 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is JRSAFMJVCLRNJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-5-13-11(2)26-16-15(13)17(23)21(9-12-7-6-8-24-12)18(19-16)25-10-14(22)20(3)4/h12H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide?
2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 395.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 51454944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).