5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

C23H23N3O4S — CID 3149885

IUPAC5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C23H23N3O4S/c27-18(26-11-13-30-14-12-26)15-31-23-24-21(28)20(22(29)25-23)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H2,24,25,28,29)
InChIKeyHFBADOBKBWFRKA-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.61
Rot. Bonds6

About 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 3149885) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID3149885
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C23H23N3O4S/c27-18(26-11-13-30-14-12-26)15-31-23-24-21(28)20(22(29)25-23)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H2,24,25,28,29)
InChIKeyHFBADOBKBWFRKA-UHFFFAOYSA-N
XLogP2.61
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 3149885) is 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is HFBADOBKBWFRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c27-18(26-11-13-30-14-12-26)15-31-23-24-21(28)20(22(29)25-23)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H2,24,25,28,29).
What are the key properties of 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 437.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3149885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).