6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C22H18N4O3S — CID 137429592

IUPAC6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1cc2nc(-c3ccccn3)[nH]c(=O)c2s1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H18N4O3S/c27-21-19-16(24-20(25-21)15-8-4-5-9-23-15)12-18(30-19)22(28)26-10-11-29-17(13-26)14-6-2-1-3-7-14/h1-9,12,17H,10-11,13H2,(H,24,25,27)
InChIKeyDMRSHSVGTPMEOB-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.26
Rot. Bonds3

About 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429592) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429592
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1cc2nc(-c3ccccn3)[nH]c(=O)c2s1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H18N4O3S/c27-21-19-16(24-20(25-21)15-8-4-5-9-23-15)12-18(30-19)22(28)26-10-11-29-17(13-26)14-6-2-1-3-7-14/h1-9,12,17H,10-11,13H2,(H,24,25,27)
InChIKeyDMRSHSVGTPMEOB-UHFFFAOYSA-N
XLogP3.26
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429592) is 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1cc2nc(-c3ccccn3)[nH]c(=O)c2s1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is DMRSHSVGTPMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-21-19-16(24-20(25-21)15-8-4-5-9-23-15)12-18(30-19)22(28)26-10-11-29-17(13-26)14-6-2-1-3-7-14/h1-9,12,17H,10-11,13H2,(H,24,25,27).
What are the key properties of 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 418.48 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylmorpholine-4-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).