5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione

C13H15N5O2S — CID 62207836

IUPAC5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCNc1nc(CN2C(=O)NC(C)(C)C2=O)nc2sccc12
InChIInChI=1S/C13H15N5O2S/c1-13(2)11(19)18(12(20)17-13)6-8-15-9(14-3)7-4-5-21-10(7)16-8/h4-5H,6H2,1-3H3,(H,17,20)(H,14,15,16)
InChIKeyPYRYHTMDLZMWHL-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.56
Rot. Bonds3

About 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 62207836) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID62207836
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCNc1nc(CN2C(=O)NC(C)(C)C2=O)nc2sccc12
InChIInChI=1S/C13H15N5O2S/c1-13(2)11(19)18(12(20)17-13)6-8-15-9(14-3)7-4-5-21-10(7)16-8/h4-5H,6H2,1-3H3,(H,17,20)(H,14,15,16)
InChIKeyPYRYHTMDLZMWHL-UHFFFAOYSA-N
XLogP1.56
TPSA87.22 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (CID 62207836) is 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is CNc1nc(CN2C(=O)NC(C)(C)C2=O)nc2sccc12.
What is the InChIKey of 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is PYRYHTMDLZMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-13(2)11(19)18(12(20)17-13)6-8-15-9(14-3)7-4-5-21-10(7)16-8/h4-5H,6H2,1-3H3,(H,17,20)(H,14,15,16).
What are the key properties of 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 305.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62207836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).