4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C17H19N5O2S — CID 118734657

IUPAC4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C17H19N5O2S/c1-5-18-15(23)13-10(3)12-14(19-8-20-16(12)25-13)21-11-6-9(2)7-22(4)17(11)24/h6-8H,5H2,1-4H3,(H,18,23)(H,19,20,21)
InChIKeyJYYABIOWHKEGMH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.50
Rot. Bonds4

About 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 118734657) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID118734657
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C17H19N5O2S/c1-5-18-15(23)13-10(3)12-14(19-8-20-16(12)25-13)21-11-6-9(2)7-22(4)17(11)24/h6-8H,5H2,1-4H3,(H,18,23)(H,19,20,21)
InChIKeyJYYABIOWHKEGMH-UHFFFAOYSA-N
XLogP2.50
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 118734657) is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C.
What is the InChIKey of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JYYABIOWHKEGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-5-18-15(23)13-10(3)12-14(19-8-20-16(12)25-13)21-11-6-9(2)7-22(4)17(11)24/h6-8H,5H2,1-4H3,(H,18,23)(H,19,20,21).
What are the key properties of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118734657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).