5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one

C14H11N3O2 — CID 22543737

IUPAC5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc3ccccc3c2)nc[nH]c1=O
InChIInChI=1S/C14H11N3O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,15H2,(H,16,17,18)
InChIKeyJSOCDAJOGUJMPY-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.30
Rot. Bonds2

About 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one

5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one (PubChem CID 22543737) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
PubChem CID22543737
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc3ccccc3c2)nc[nH]c1=O
InChIInChI=1S/C14H11N3O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,15H2,(H,16,17,18)
InChIKeyJSOCDAJOGUJMPY-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-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042
5-amino-4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578580
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one
CID 146290943
5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one
CID 103241049
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889
5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one
CID 146290995
5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one
CID 114764582
5-amino-4-[4-(2-fluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 156633904
5-amino-4-[4-(2,2-difluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 146290875
4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride
CID 146290938

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one (CID 22543737) is 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one is Nc1c(Oc2ccc3ccccc3c2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is JSOCDAJOGUJMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,15H2,(H,16,17,18).
What are the key properties of 5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
5-amino-4-naphthalen-2-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-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 22543737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).