ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C11H15N3O3S — CID 142506860

IUPACethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCC.COc1c(O)nc(-c2ncc(C)s2)[nH]c1=O
InChIInChI=1S/C9H9N3O3S.C2H6/c1-4-3-10-9(16-4)6-11-7(13)5(15-2)8(14)12-6;1-2/h3H,1-2H3,(H2,11,12,13,14);1-2H3
InChIKeyQWYNOEPTFGZFJB-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.94
Rot. Bonds2

About ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 142506860) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID142506860
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Nameethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCC.COc1c(O)nc(-c2ncc(C)s2)[nH]c1=O
InChIInChI=1S/C9H9N3O3S.C2H6/c1-4-3-10-9(16-4)6-11-7(13)5(15-2)8(14)12-6;1-2/h3H,1-2H3,(H2,11,12,13,14);1-2H3
InChIKeyQWYNOEPTFGZFJB-UHFFFAOYSA-N
XLogP1.94
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 142506860) is ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is CC.COc1c(O)nc(-c2ncc(C)s2)[nH]c1=O.
What is the InChIKey of ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is QWYNOEPTFGZFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S.C2H6/c1-4-3-10-9(16-4)6-11-7(13)5(15-2)8(14)12-6;1-2/h3H,1-2H3,(H2,11,12,13,14);1-2H3.
What are the key properties of ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 269.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-5-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 142506860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).