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Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate

C16H16N4O2S — CID 142540274

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2ccccn2)nc2cc(C)sc12
InChIInChI=1S/C16H16N4O2S/c1-9-8-12-14(23-9)13(15(21)22-3)20-16(19-12)18-10(2)11-6-4-5-7-17-11/h4-8,10H,1-3H3,(H,18,19,20)
InChIKeyHCIWJOMUMKUAQU-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.35
Rot. Bonds4

About Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate

Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate (PubChem CID 142540274) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound NameMethyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
PubChem CID142540274
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Namemethyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2ccccn2)nc2cc(C)sc12
InChIInChI=1S/C16H16N4O2S/c1-9-8-12-14(23-9)13(15(21)22-3)20-16(19-12)18-10(2)11-6-4-5-7-17-11/h4-8,10H,1-3H3,(H,18,19,20)
InChIKeyHCIWJOMUMKUAQU-UHFFFAOYSA-N
XLogP3.35
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
The IUPAC name of Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate (CID 142540274) is methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate.
What is the SMILES notation for Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
The canonical SMILES for Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate is COC(=O)c1nc(NC(C)c2ccccn2)nc2cc(C)sc12.
What is the InChIKey of Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
The InChIKey is HCIWJOMUMKUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-8-12-14(23-9)13(15(21)22-3)20-16(19-12)18-10(2)11-6-4-5-7-17-11/h4-8,10H,1-3H3,(H,18,19,20).
What are the key properties of Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate has a molecular weight of 328.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 6-methyl-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 142540274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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