ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate

C17H17FN4O2S — CID 142540079

IUPACethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)c2cncc(F)c2)nc2c(C)csc12
InChIInChI=1S/C17H17FN4O2S/c1-4-24-16(23)14-15-13(9(2)8-25-15)21-17(22-14)20-10(3)11-5-12(18)7-19-6-11/h5-8,10H,4H2,1-3H3,(H,20,21,22)
InChIKeyFRYJSBPKXVBXOD-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.88
Rot. Bonds5

About ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate

ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate (PubChem CID 142540079) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate
PubChem CID142540079
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Nameethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)c2cncc(F)c2)nc2c(C)csc12
InChIInChI=1S/C17H17FN4O2S/c1-4-24-16(23)14-15-13(9(2)8-25-15)21-17(22-14)20-10(3)11-5-12(18)7-19-6-11/h5-8,10H,4H2,1-3H3,(H,20,21,22)
InChIKeyFRYJSBPKXVBXOD-UHFFFAOYSA-N
XLogP3.88
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]-N-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 150351504
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
[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 151649892
[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 153637697
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
[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-cyclopropyl-2-[(2-methoxy-1-pyridin-3-ylethyl)amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538981
2-[(2-methoxy-1-pyridin-3-ylethyl)amino]-N-(oxetan-3-yl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539205

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate (CID 142540079) is ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate is CCOC(=O)c1nc(NC(C)c2cncc(F)c2)nc2c(C)csc12.
What is the InChIKey of ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate?
The InChIKey is FRYJSBPKXVBXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-4-24-16(23)14-15-13(9(2)8-25-15)21-17(22-14)20-10(3)11-5-12(18)7-19-6-11/h5-8,10H,4H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate?
ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-7-methylthieno[3,2-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 142540079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).