2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C16H17N3OS — CID 137429295

IUPAC2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(-c3cc(C)cc(C)n3)[nH]c(=O)c12
InChIInChI=1S/C16H17N3OS/c1-5-11-10(4)21-16-13(11)15(20)18-14(19-16)12-7-8(2)6-9(3)17-12/h6-7H,5H2,1-4H3,(H,18,19,20)
InChIKeyHILKCTHDCFTNII-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.53
Rot. Bonds2

About 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 137429295) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID137429295
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(-c3cc(C)cc(C)n3)[nH]c(=O)c12
InChIInChI=1S/C16H17N3OS/c1-5-11-10(4)21-16-13(11)15(20)18-14(19-16)12-7-8(2)6-9(3)17-12/h6-7H,5H2,1-4H3,(H,18,19,20)
InChIKeyHILKCTHDCFTNII-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 137429295) is 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2nc(-c3cc(C)cc(C)n3)[nH]c(=O)c12.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HILKCTHDCFTNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-5-11-10(4)21-16-13(11)15(20)18-14(19-16)12-7-8(2)6-9(3)17-12/h6-7H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-pyridinyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137429295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).