2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one

C15H12N2O2 — CID 103241191

IUPAC2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cccc3ccccc23)cc(=O)[nH]1
InChIInChI=1S/C15H12N2O2/c1-10-16-14(18)9-15(17-10)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18)
InChIKeyQBUWHBNLEOZJHM-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one

2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one (PubChem CID 103241191) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
PubChem CID103241191
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
SMILESCc1nc(Oc2cccc3ccccc23)cc(=O)[nH]1
InChIInChI=1S/C15H12N2O2/c1-10-16-14(18)9-15(17-10)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18)
InChIKeyQBUWHBNLEOZJHM-UHFFFAOYSA-N
XLogP3.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114580959
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80869548
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one (CID 103241191) is 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one is Cc1nc(Oc2cccc3ccccc23)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The InChIKey is QBUWHBNLEOZJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-16-14(18)9-15(17-10)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18).
What are the key properties of 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one has a molecular weight of 252.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).