(5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one

C18H19N5OS — CID 46992476

IUPAC(5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc(N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c2ccsc2n1
InChIInChI=1S/C18H19N5OS/c1-12-20-17(15-7-9-25-18(15)21-12)23(10-13-4-2-3-8-19-13)11-14-5-6-16(24)22-14/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyRHTQJTYLYJFLMK-AWEZNQCLSA-N
MW353.45 g/mol
LogP2.68
Rot. Bonds5

About (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 46992476) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID46992476
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc(N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c2ccsc2n1
InChIInChI=1S/C18H19N5OS/c1-12-20-17(15-7-9-25-18(15)21-12)23(10-13-4-2-3-8-19-13)11-14-5-6-16(24)22-14/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyRHTQJTYLYJFLMK-AWEZNQCLSA-N
XLogP2.68
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 46992476) is (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one is Cc1nc(N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c2ccsc2n1.
What is the InChIKey of (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is RHTQJTYLYJFLMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-20-17(15-7-9-25-18(15)21-12)23(10-13-4-2-3-8-19-13)11-14-5-6-16(24)22-14/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 353.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(2-methylthieno[2,3-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 46992476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).