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

C16H16N4O2S — CID 142540274

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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Related Compounds

methyl 4-[2-[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]amino]ethyl]benzoate
CID 137538860
benzyl N-[(3S)-1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidin-3-yl]carbamate
CID 150772474
benzyl N-[(3S)-1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidin-3-yl]carbamate
CID 151077614
benzyl N-[(3R)-1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidin-3-yl]carbamate
CID 153637838
Methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907061
Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907063
1,3-oxazolidin-3-yl-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 137538587
[2-[(2-Methoxy-1-pyridin-3-ylethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 137538633
(3-Methoxyazetidin-1-yl)-[2-[(2-methoxy-1-pyridin-3-ylethyl)amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 137538664
N-(5-methoxy-3-pyridinyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538684
[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 137538729
azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 137538958

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).