N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C15H14N4O2S — CID 2458771

IUPACN,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2nc(-c3ccccn3)[nH]c(=O)c12
InChIInChI=1S/C15H14N4O2S/c1-8-10-13(20)17-12(9-6-4-5-7-16-9)18-14(10)22-11(8)15(21)19(2)3/h4-7H,1-3H3,(H,17,18,20)
InChIKeyMWIVJVULMMOSSP-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.06
Rot. Bonds2

About N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 2458771) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID2458771
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2nc(-c3ccccn3)[nH]c(=O)c12
InChIInChI=1S/C15H14N4O2S/c1-8-10-13(20)17-12(9-6-4-5-7-16-9)18-14(10)22-11(8)15(21)19(2)3/h4-7H,1-3H3,(H,17,18,20)
InChIKeyMWIVJVULMMOSSP-UHFFFAOYSA-N
XLogP2.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 2458771) is N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C)sc2nc(-c3ccccn3)[nH]c(=O)c12.
What is the InChIKey of N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MWIVJVULMMOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-10-13(20)17-12(9-6-4-5-7-16-9)18-14(10)22-11(8)15(21)19(2)3/h4-7H,1-3H3,(H,17,18,20).
What are the key properties of N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 2458771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).