5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C19H20N4O4S — CID 69244958

IUPAC5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCc1csc2nc(C(=O)NCc3ccnc(OCC4CCOC4)c3)[nH]c(=O)c12
InChIInChI=1S/C19H20N4O4S/c1-11-10-28-19-15(11)17(24)22-16(23-19)18(25)21-7-12-2-4-20-14(6-12)27-9-13-3-5-26-8-13/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyPXPGLQONNVNOSB-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.03
Rot. Bonds6

About 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide

5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 69244958) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID69244958
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCc1csc2nc(C(=O)NCc3ccnc(OCC4CCOC4)c3)[nH]c(=O)c12
InChIInChI=1S/C19H20N4O4S/c1-11-10-28-19-15(11)17(24)22-16(23-19)18(25)21-7-12-2-4-20-14(6-12)27-9-13-3-5-26-8-13/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyPXPGLQONNVNOSB-UHFFFAOYSA-N
XLogP2.03
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 69244958) is 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide is Cc1csc2nc(C(=O)NCc3ccnc(OCC4CCOC4)c3)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is PXPGLQONNVNOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-11-10-28-19-15(11)17(24)22-16(23-19)18(25)21-7-12-2-4-20-14(6-12)27-9-13-3-5-26-8-13/h2,4,6,10,13H,3,5,7-9H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 69244958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).