4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide

C19H20N4O2S — CID 171784142

IUPAC4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(OCc2ccccc2C2CNCC2C(N)=O)c2ccsc2n1
InChIInChI=1S/C19H20N4O2S/c1-11-22-18(14-6-7-26-19(14)23-11)25-10-12-4-2-3-5-13(12)15-8-21-9-16(15)17(20)24/h2-7,15-16,21H,8-10H2,1H3,(H2,20,24)
InChIKeyNBXVQLWLZVGNIG-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.37
Rot. Bonds5

About 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide

4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 171784142) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID171784142
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(OCc2ccccc2C2CNCC2C(N)=O)c2ccsc2n1
InChIInChI=1S/C19H20N4O2S/c1-11-22-18(14-6-7-26-19(14)23-11)25-10-12-4-2-3-5-13(12)15-8-21-9-16(15)17(20)24/h2-7,15-16,21H,8-10H2,1H3,(H2,20,24)
InChIKeyNBXVQLWLZVGNIG-UHFFFAOYSA-N
XLogP2.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide 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 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide (CID 171784142) is 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide is Cc1nc(OCc2ccccc2C2CNCC2C(N)=O)c2ccsc2n1.
What is the InChIKey of 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NBXVQLWLZVGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-22-18(14-6-7-26-19(14)23-11)25-10-12-4-2-3-5-13(12)15-8-21-9-16(15)17(20)24/h2-7,15-16,21H,8-10H2,1H3,(H2,20,24).
What are the key properties of 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide?
4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171784142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).