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

C16H17N5O2S — CID 118734656

IUPAC4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C16H17N5O2S/c1-8-5-10(16(23)21(4)6-8)20-13-11-9(2)12(14(22)17-3)24-15(11)19-7-18-13/h5-7H,1-4H3,(H,17,22)(H,18,19,20)
InChIKeyBATZQGGRFMDWHJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.11
Rot. Bonds3

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

4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 118734656) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID118734656
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
InChIInChI=1S/C16H17N5O2S/c1-8-5-10(16(23)21(4)6-8)20-13-11-9(2)12(14(22)17-3)24-15(11)19-7-18-13/h5-7H,1-4H3,(H,17,22)(H,18,19,20)
InChIKeyBATZQGGRFMDWHJ-UHFFFAOYSA-N
XLogP2.11
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.11
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,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 118734656) is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C.
What is the InChIKey of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BATZQGGRFMDWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-8-5-10(16(23)21(4)6-8)20-13-11-9(2)12(14(22)17-3)24-15(11)19-7-18-13/h5-7H,1-4H3,(H,17,22)(H,18,19,20).
What are the key properties of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.11, 3 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,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118734656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).