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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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).