5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one

C17H15N3O3 — CID 146290943

IUPAC5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2cccc(OCc3ccccc3)c2)nc[nH]c1=O
InChIInChI=1S/C17H15N3O3/c18-15-16(21)19-11-20-17(15)23-14-8-4-7-13(9-14)22-10-12-5-2-1-3-6-12/h1-9,11H,10,18H2,(H,19,20,21)
InChIKeyYASXEZBFEAQIEY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.72
Rot. Bonds5

About 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one

5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one (PubChem CID 146290943) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one
PubChem CID146290943
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2cccc(OCc3ccccc3)c2)nc[nH]c1=O
InChIInChI=1S/C17H15N3O3/c18-15-16(21)19-11-20-17(15)23-14-8-4-7-13(9-14)22-10-12-5-2-1-3-6-12/h1-9,11H,10,18H2,(H,19,20,21)
InChIKeyYASXEZBFEAQIEY-UHFFFAOYSA-N
XLogP2.72
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
5-amino-4-[4-(2-fluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 156633904
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one
CID 114764582
5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one
CID 146290995
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
4-methoxy-5-nitro-6-(3-phenylmethoxyphenoxy)pyrimidine
CID 146290818
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one
CID 106486617

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one (CID 146290943) is 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one is Nc1c(Oc2cccc(OCc3ccccc3)c2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one?
The InChIKey is YASXEZBFEAQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-15-16(21)19-11-20-17(15)23-14-8-4-7-13(9-14)22-10-12-5-2-1-3-6-12/h1-9,11H,10,18H2,(H,19,20,21).
What are the key properties of 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one?
5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one has a molecular weight of 309.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 146290943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).