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

C17H18N4O2S — CID 2101786

IUPACN,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C
InChIInChI=1S/C17H18N4O2S/c1-4-21(5-2)17(23)13-10(3)12-15(22)19-14(20-16(12)24-13)11-8-6-7-9-18-11/h6-9H,4-5H2,1-3H3,(H,19,20,22)
InChIKeyUYGHTUHCYPBMOW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.84
Rot. Bonds4

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

N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 2101786) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID2101786
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C
InChIInChI=1S/C17H18N4O2S/c1-4-21(5-2)17(23)13-10(3)12-15(22)19-14(20-16(12)24-13)11-8-6-7-9-18-11/h6-9H,4-5H2,1-3H3,(H,19,20,22)
InChIKeyUYGHTUHCYPBMOW-UHFFFAOYSA-N
XLogP2.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 2101786) is N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C.
What is the InChIKey of N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UYGHTUHCYPBMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-21(5-2)17(23)13-10(3)12-15(22)19-14(20-16(12)24-13)11-8-6-7-9-18-11/h6-9H,4-5H2,1-3H3,(H,19,20,22).
What are the key properties of N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 2101786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).