4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one

C15H12N2O3 — CID 114580959

IUPAC4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cc3ccccc3cc2O)cc(=O)[nH]1
InChIInChI=1S/C15H12N2O3/c1-9-16-14(19)8-15(17-9)20-13-7-11-5-3-2-4-10(11)6-12(13)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyZLIBUCMSUSRZMX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.73
Rot. Bonds2

About 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one

4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 114580959) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
PubChem CID114580959
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cc3ccccc3cc2O)cc(=O)[nH]1
InChIInChI=1S/C15H12N2O3/c1-9-16-14(19)8-15(17-9)20-13-7-11-5-3-2-4-10(11)6-12(13)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyZLIBUCMSUSRZMX-UHFFFAOYSA-N
XLogP2.73
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899
3-(6-methylpyridazin-3-yl)oxynaphthalen-2-ol
CID 61313118
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605
3-(2-methylpyrimidin-4-yl)oxynaphthalen-2-ol
CID 55113006
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
3-chloro-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585684
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870486
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 103242073

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one (CID 114580959) is 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(Oc2cc3ccccc3cc2O)cc(=O)[nH]1.
What is the InChIKey of 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZLIBUCMSUSRZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-16-14(19)8-15(17-9)20-13-7-11-5-3-2-4-10(11)6-12(13)18/h2-8,18H,1H3,(H,16,17,19).
What are the key properties of 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one?
4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 268.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114580959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).