[2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol

C14H19N3O4S — CID 143801286

IUPAC[2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2ccc(NS(C)(C)(=O)O)cc2)ncc1CO
InChIInChI=1S/C14H19N3O4S/c1-10-11(9-18)8-15-14(16-10)21-13-6-4-12(5-7-13)17-22(2,3,19)20/h4-8,18H,9H2,1-3H3,(H2,17,19,20)
InChIKeyQVYLJVUWRYTSGQ-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.95
Rot. Bonds5

About [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol

[2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol (PubChem CID 143801286) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol
PubChem CID143801286
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name[2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2ccc(NS(C)(C)(=O)O)cc2)ncc1CO
InChIInChI=1S/C14H19N3O4S/c1-10-11(9-18)8-15-14(16-10)21-13-6-4-12(5-7-13)17-22(2,3,19)20/h4-8,18H,9H2,1-3H3,(H2,17,19,20)
InChIKeyQVYLJVUWRYTSGQ-UHFFFAOYSA-N
XLogP1.95
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol (CID 143801286) is [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol is Cc1nc(Oc2ccc(NS(C)(C)(=O)O)cc2)ncc1CO.
What is the InChIKey of [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is QVYLJVUWRYTSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-10-11(9-18)8-15-14(16-10)21-13-6-4-12(5-7-13)17-22(2,3,19)20/h4-8,18H,9H2,1-3H3,(H2,17,19,20).
What are the key properties of [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol?
[2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 325.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(hydroxy-dimethyl-oxo-λ6-sulfanyl)amino]phenoxy]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 143801286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).