2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C22H20N4O3S — CID 167860784

IUPAC2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2ccc(-c3cccnc3N3CCOCC3)cc2)nc2ccsc12
InChIInChI=1S/C22H20N4O3S/c27-22-20-18(7-13-30-20)24-19(25-22)14-29-16-5-3-15(4-6-16)17-2-1-8-23-21(17)26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H,24,25,27)
InChIKeyOHNYQBJRHIRUFS-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.46
Rot. Bonds5

About 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 167860784) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID167860784
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2ccc(-c3cccnc3N3CCOCC3)cc2)nc2ccsc12
InChIInChI=1S/C22H20N4O3S/c27-22-20-18(7-13-30-20)24-19(25-22)14-29-16-5-3-15(4-6-16)17-2-1-8-23-21(17)26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H,24,25,27)
InChIKeyOHNYQBJRHIRUFS-UHFFFAOYSA-N
XLogP3.46
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 167860784) is 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(COc2ccc(-c3cccnc3N3CCOCC3)cc2)nc2ccsc12.
What is the InChIKey of 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OHNYQBJRHIRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-22-20-18(7-13-30-20)24-19(25-22)14-29-16-5-3-15(4-6-16)17-2-1-8-23-21(17)26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H,24,25,27).
What are the key properties of 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 420.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-morpholin-4-yl-3-pyridinyl)phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 167860784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).