6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C22H20N4O3S — CID 146424452

IUPAC6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2cc([C@@H](O)N3CCOC(c4ccccc4)C3)sc12
InChIInChI=1S/C22H20N4O3S/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/h1-9,12,17,22,28H,10-11,13H2,(H,24,25,27)/t17?,22-/m1/s1
InChIKeyUFOOUHLVLXIQSA-IVAFLUGOSA-N
MW420.49 g/mol
LogP3.11
Rot. Bonds4

About 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 146424452) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID146424452
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2cc([C@@H](O)N3CCOC(c4ccccc4)C3)sc12
InChIInChI=1S/C22H20N4O3S/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/h1-9,12,17,22,28H,10-11,13H2,(H,24,25,27)/t17?,22-/m1/s1
InChIKeyUFOOUHLVLXIQSA-IVAFLUGOSA-N
XLogP3.11
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 146424452) is 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2cc([C@@H](O)N3CCOC(c4ccccc4)C3)sc12.
What is the InChIKey of 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is UFOOUHLVLXIQSA-IVAFLUGOSA-N. The full InChI is InChI=1S/C22H20N4O3S/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/h1-9,12,17,22,28H,10-11,13H2,(H,24,25,27)/t17?,22-/m1/s1.
What are the key properties of 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 420.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-hydroxy-(2-phenylmorpholin-4-yl)methyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146424452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).