4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C18H18N4O2S — CID 4799590

IUPAC4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CC(O)CC2C(N)=O)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H18N4O2S/c1-10-20-17(22-8-12(23)7-14(22)16(19)24)15-13(9-25-18(15)21-10)11-5-3-2-4-6-11/h2-6,9,12,14,23H,7-8H2,1H3,(H2,19,24)
InChIKeyNYJKEKBTKCIVBI-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.09
Rot. Bonds3

About 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 4799590) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID4799590
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CC(O)CC2C(N)=O)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H18N4O2S/c1-10-20-17(22-8-12(23)7-14(22)16(19)24)15-13(9-25-18(15)21-10)11-5-3-2-4-6-11/h2-6,9,12,14,23H,7-8H2,1H3,(H2,19,24)
InChIKeyNYJKEKBTKCIVBI-UHFFFAOYSA-N
XLogP2.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 4799590) is 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is Cc1nc(N2CC(O)CC2C(N)=O)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is NYJKEKBTKCIVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-20-17(22-8-12(23)7-14(22)16(19)24)15-13(9-25-18(15)21-10)11-5-3-2-4-6-11/h2-6,9,12,14,23H,7-8H2,1H3,(H2,19,24).
What are the key properties of 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4799590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).