1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one

C14H18N4OS — CID 94210794

IUPAC1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one
SMILESC[C@@H](CNc1ncnc2ccsc12)CN1CCCC1=O
InChIInChI=1S/C14H18N4OS/c1-10(8-18-5-2-3-12(18)19)7-15-14-13-11(4-6-20-13)16-9-17-14/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeySJBXPFAMJXALFO-JTQLQIEISA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds5

About 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one

1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one (PubChem CID 94210794) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one
PubChem CID94210794
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one
SMILESC[C@@H](CNc1ncnc2ccsc12)CN1CCCC1=O
InChIInChI=1S/C14H18N4OS/c1-10(8-18-5-2-3-12(18)19)7-15-14-13-11(4-6-20-13)16-9-17-14/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,15,16,17)/t10-/m0/s1
InChIKeySJBXPFAMJXALFO-JTQLQIEISA-N
XLogP2.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one (CID 94210794) is 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one is C[C@@H](CNc1ncnc2ccsc12)CN1CCCC1=O.
What is the InChIKey of 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one?
The InChIKey is SJBXPFAMJXALFO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10(8-18-5-2-3-12(18)19)7-15-14-13-11(4-6-20-13)16-9-17-14/h4,6,9-10H,2-3,5,7-8H2,1H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one?
1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one has a molecular weight of 290.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 94210794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).