methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate

C17H16N4O3S — CID 137429999

IUPACmethyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C17H16N4O3S/c1-23-17(22)11-10-25-16-13(11)15(21-6-8-24-9-7-21)19-14(20-16)12-4-2-3-5-18-12/h2-5,10H,6-9H2,1H3
InChIKeyRDRMQTQZSFFLAP-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.38
Rot. Bonds3

About methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate

methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate (PubChem CID 137429999) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
PubChem CID137429999
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Namemethyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C17H16N4O3S/c1-23-17(22)11-10-25-16-13(11)15(21-6-8-24-9-7-21)19-14(20-16)12-4-2-3-5-18-12/h2-5,10H,6-9H2,1H3
InChIKeyRDRMQTQZSFFLAP-UHFFFAOYSA-N
XLogP2.38
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate (CID 137429999) is methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RDRMQTQZSFFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-23-17(22)11-10-25-16-13(11)15(21-6-8-24-9-7-21)19-14(20-16)12-4-2-3-5-18-12/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate?
methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 356.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 137429999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).