ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate

C17H18N4O3S — CID 150474262

IUPACethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N[C@H](COC)c2cccnc2)nc2ccsc12
InChIInChI=1S/C17H18N4O3S/c1-3-24-16(22)14-15-12(6-8-25-15)19-17(21-14)20-13(10-23-2)11-5-4-7-18-9-11/h4-9,13H,3,10H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyHSLNHGWIIUGRAQ-CYBMUJFWSA-N
MW358.42 g/mol
LogP3.06
Rot. Bonds7

About ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate

ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate (PubChem CID 150474262) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate
PubChem CID150474262
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Nameethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N[C@H](COC)c2cccnc2)nc2ccsc12
InChIInChI=1S/C17H18N4O3S/c1-3-24-16(22)14-15-12(6-8-25-15)19-17(21-14)20-13(10-23-2)11-5-4-7-18-9-11/h4-9,13H,3,10H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyHSLNHGWIIUGRAQ-CYBMUJFWSA-N
XLogP3.06
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate with MolForge

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Related Compounds

2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid iso-propylamide
CID 25231170
(5-Methylthiophen-2-yl)(2-(1-(pyridin-3-yl)ethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883107
Ethyl 3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]benzoate
CID 164619714
Ethyl 2-(6-(benzo[d]thiazol-6-ylamino)-4-(isopropylamino)pyridin-3-yl)-5-methylthiazole-4-carboxylate
CID 89689567
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-(2-hydroxyethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538663
2-[(5-fluoro-3-pyridinyl)methylamino]-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538827
methyl 4-[2-[[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]amino]ethyl]benzoate
CID 137538860
[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-(3-methoxyazetidin-1-yl)methanone
CID 137539409
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]oxane-4-carboxamide
CID 137539478
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-3-(oxan-4-yl)propanamide
CID 137539657
[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 142540414
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 150351504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate (CID 150474262) is ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate is CCOC(=O)c1nc(N[C@H](COC)c2cccnc2)nc2ccsc12.
What is the InChIKey of ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate?
The InChIKey is HSLNHGWIIUGRAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-24-16(22)14-15-12(6-8-25-15)19-17(21-14)20-13(10-23-2)11-5-4-7-18-9-11/h4-9,13H,3,10H2,1-2H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate?
ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 150474262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).