1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one

C12H15N5OS — CID 72858226

IUPAC1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESCc1nc(NCCN2CCNC2=O)c2ccsc2n1
InChIInChI=1S/C12H15N5OS/c1-8-15-10(9-2-7-19-11(9)16-8)13-3-5-17-6-4-14-12(17)18/h2,7H,3-6H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyJXTSKZFCFCLBLD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one

1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 72858226) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one
PubChem CID72858226
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESCc1nc(NCCN2CCNC2=O)c2ccsc2n1
InChIInChI=1S/C12H15N5OS/c1-8-15-10(9-2-7-19-11(9)16-8)13-3-5-17-6-4-14-12(17)18/h2,7H,3-6H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyJXTSKZFCFCLBLD-UHFFFAOYSA-N
XLogP1.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one (CID 72858226) is 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one is Cc1nc(NCCN2CCNC2=O)c2ccsc2n1.
What is the InChIKey of 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is JXTSKZFCFCLBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-15-10(9-2-7-19-11(9)16-8)13-3-5-17-6-4-14-12(17)18/h2,7H,3-6H2,1H3,(H,14,18)(H,13,15,16).
What are the key properties of 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one?
1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 277.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 72858226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).