ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate

C16H16N4O3S — CID 150215711

IUPACethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(NCc2cncc(OC)c2)nc2ccsc12
InChIInChI=1S/C16H16N4O3S/c1-3-23-15(21)13-14-12(4-5-24-14)19-16(20-13)18-8-10-6-11(22-2)9-17-7-10/h4-7,9H,3,8H2,1-2H3,(H,18,19,20)
InChIKeyFSKXOBJJOLRBQU-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.88
Rot. Bonds6

About ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate

ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate (PubChem CID 150215711) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate
PubChem CID150215711
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Nameethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(NCc2cncc(OC)c2)nc2ccsc12
InChIInChI=1S/C16H16N4O3S/c1-3-23-15(21)13-14-12(4-5-24-14)19-16(20-13)18-8-10-6-11(22-2)9-17-7-10/h4-7,9H,3,8H2,1-2H3,(H,18,19,20)
InChIKeyFSKXOBJJOLRBQU-UHFFFAOYSA-N
XLogP2.88
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
CID 68774317
ethyl 2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidine-4-carboxylate
CID 150546337
3-(6-methoxy-3-pyridinyl)-1-[2-[(6-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one
CID 163625156
(5-methylfuran-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883109
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
1-[2-[(3-fluorophenyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-3-(6-methoxy-3-pyridinyl)propan-1-one
CID 163953447
(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883108
2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 171677233
1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-4-(4-methoxyphenyl)butan-1-one
CID 163527016
N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230099
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185
N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
CID 69114857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate (CID 150215711) is ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate is CCOC(=O)c1nc(NCc2cncc(OC)c2)nc2ccsc12.
What is the InChIKey of ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate?
The InChIKey is FSKXOBJJOLRBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-23-15(21)13-14-12(4-5-24-14)19-16(20-13)18-8-10-6-11(22-2)9-17-7-10/h4-7,9H,3,8H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate?
ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate has a molecular weight of 344.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 150215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).