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

C13H15N5O2S — CID 62209192

IUPAC3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1nc(CN2C(=O)CNC2=O)nc2sccc12
InChIInChI=1S/C13H15N5O2S/c1-2-4-14-11-8-3-5-21-12(8)17-9(16-11)7-18-10(19)6-15-13(18)20/h3,5H,2,4,6-7H2,1H3,(H,15,20)(H,14,16,17)
InChIKeyMPGPTLCAQBDXQI-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.57
Rot. Bonds5

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

3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 62209192) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID62209192
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1nc(CN2C(=O)CNC2=O)nc2sccc12
InChIInChI=1S/C13H15N5O2S/c1-2-4-14-11-8-3-5-21-12(8)17-9(16-11)7-18-10(19)6-15-13(18)20/h3,5H,2,4,6-7H2,1H3,(H,15,20)(H,14,16,17)
InChIKeyMPGPTLCAQBDXQI-UHFFFAOYSA-N
XLogP1.57
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.57
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 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (CID 62209192) is 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is CCCNc1nc(CN2C(=O)CNC2=O)nc2sccc12.
What is the InChIKey of 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is MPGPTLCAQBDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-2-4-14-11-8-3-5-21-12(8)17-9(16-11)7-18-10(19)6-15-13(18)20/h3,5H,2,4,6-7H2,1H3,(H,15,20)(H,14,16,17).
What are the key properties of 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 305.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62209192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).