5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one

C14H11N3O2 — CID 22541502

IUPAC5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
SMILESNc1c(Oc2cccc3ccccc23)nc[nH]c1=O
InChIInChI=1S/C14H11N3O2/c15-12-13(18)16-8-17-14(12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,15H2,(H,16,17,18)
InChIKeyYMUCGPYJKWMVKC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.30
Rot. Bonds2

About 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one

5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one (PubChem CID 22541502) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
PubChem CID22541502
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
SMILESNc1c(Oc2cccc3ccccc23)nc[nH]c1=O
InChIInChI=1S/C14H11N3O2/c15-12-13(18)16-8-17-14(12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,15H2,(H,16,17,18)
InChIKeyYMUCGPYJKWMVKC-UHFFFAOYSA-N
XLogP2.30
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride
CID 146290992
5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241244
5-amino-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103241888
5-amino-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242110
5-amino-4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
CID 107663071
5-amino-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one
CID 113792782
5-amino-4-(4-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
CID 113792795
5-amino-4-[4-(2-fluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 156633904
N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)ethyl]-2-(naphthalen-1-yloxy)acetamide
CID 71795128
5-amino-4-[3-(hydroxymethyl)phenoxy]-1H-pyrimidin-6-one
CID 114580976
5-amino-4-(3-methylphenoxy)-1H-pyrimidin-6-one;hydrochloride
CID 146290902
5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one
CID 146290944

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one (CID 22541502) is 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one is Nc1c(Oc2cccc3ccccc23)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The InChIKey is YMUCGPYJKWMVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-12-13(18)16-8-17-14(12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,15H2,(H,16,17,18).
What are the key properties of 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one has a molecular weight of 253.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-naphthalen-1-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 22541502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).