4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide

C13H15ClN4O2S — CID 83098819

IUPAC4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C13H15ClN4O2S/c1-15-12(19)9-7-20-4-3-18(9)6-10-16-11(14)8-2-5-21-13(8)17-10/h2,5,9H,3-4,6-7H2,1H3,(H,15,19)
InChIKeyABELWBNNIZSBSG-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.29
Rot. Bonds3

About 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide

4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83098819) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID83098819
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C13H15ClN4O2S/c1-15-12(19)9-7-20-4-3-18(9)6-10-16-11(14)8-2-5-21-13(8)17-10/h2,5,9H,3-4,6-7H2,1H3,(H,15,19)
InChIKeyABELWBNNIZSBSG-UHFFFAOYSA-N
XLogP1.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide (CID 83098819) is 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1Cc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is ABELWBNNIZSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-15-12(19)9-7-20-4-3-18(9)6-10-16-11(14)8-2-5-21-13(8)17-10/h2,5,9H,3-4,6-7H2,1H3,(H,15,19).
What are the key properties of 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide?
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 326.81 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83098819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).