3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C15H14N4O2S — CID 18106835

IUPAC3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)nc1
InChIInChI=1S/C15H14N4O2S/c1-8-4-5-10(16-6-8)18-13(20)12-9(2)11-14(22-12)17-7-19(3)15(11)21/h4-7H,1-3H3,(H,16,18,20)
InChIKeyNNTCMXMASCTUQM-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.26
Rot. Bonds2

About 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18106835) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18106835
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)nc1
InChIInChI=1S/C15H14N4O2S/c1-8-4-5-10(16-6-8)18-13(20)12-9(2)11-14(22-12)17-7-19(3)15(11)21/h4-7H,1-3H3,(H,16,18,20)
InChIKeyNNTCMXMASCTUQM-UHFFFAOYSA-N
XLogP2.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 18106835) is 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)nc1.
What is the InChIKey of 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NNTCMXMASCTUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-4-5-10(16-6-8)18-13(20)12-9(2)11-14(22-12)17-7-19(3)15(11)21/h4-7H,1-3H3,(H,16,18,20).
What are the key properties of 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18106835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).