2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C9H12N2O4 — CID 65351208

IUPAC2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-5-8(12)10-7(11-9(5)13)6-4-14-2-3-15-6/h6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyDKPBSDSNBRFULM-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.13
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 65351208) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID65351208
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-5-8(12)10-7(11-9(5)13)6-4-14-2-3-15-6/h6H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyDKPBSDSNBRFULM-UHFFFAOYSA-N
XLogP-0.13
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 65351154
2-(1,4-dioxan-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 65351262
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65351264
2-(1,4-dioxan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65351316
2-(ethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65668232
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284748
2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285780
4-hydroxy-5-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077480
4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 79617113

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 65351208) is 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(C2COCCO2)[nH]c1=O.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is DKPBSDSNBRFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-8(12)10-7(11-9(5)13)6-4-14-2-3-15-6/h6H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 212.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65351208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).