3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C13H15N5O2S — CID 62209030

IUPAC3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nc(N)c3ccsc3n2)C1=O
InChIInChI=1S/C13H15N5O2S/c1-3-13(2)11(19)18(12(20)17-13)6-8-15-9(14)7-4-5-21-10(7)16-8/h4-5H,3,6H2,1-2H3,(H,17,20)(H2,14,15,16)
InChIKeyYFGGGWUYEBWGDO-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.49
Rot. Bonds3

About 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 62209030) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID62209030
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(Cc2nc(N)c3ccsc3n2)C1=O
InChIInChI=1S/C13H15N5O2S/c1-3-13(2)11(19)18(12(20)17-13)6-8-15-9(14)7-4-5-21-10(7)16-8/h4-5H,3,6H2,1-2H3,(H,17,20)(H2,14,15,16)
InChIKeyYFGGGWUYEBWGDO-UHFFFAOYSA-N
XLogP1.49
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 62207836
3-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43320529
2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271356
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80583067
4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
CID 79467885
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209739
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 115561742
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 62882605
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 102886372
5-ethyl-3-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
CID 62207321
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 62209030) is 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(Cc2nc(N)c3ccsc3n2)C1=O.
What is the InChIKey of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is YFGGGWUYEBWGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-3-13(2)11(19)18(12(20)17-13)6-8-15-9(14)7-4-5-21-10(7)16-8/h4-5H,3,6H2,1-2H3,(H,17,20)(H2,14,15,16).
What are the key properties of 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 305.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 62209030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).