4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one

C19H19N3O3S — CID 135415843

IUPAC4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(OCCSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-14-7-9-15(10-8-14)25-11-12-26-19-21-17(20)16(18(23)22-19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H3,20,21,22,23)
InChIKeyMFSSUFJXSGFIBD-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.20
Rot. Bonds7

About 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one

4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one (PubChem CID 135415843) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
PubChem CID135415843
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(OCCSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-14-7-9-15(10-8-14)25-11-12-26-19-21-17(20)16(18(23)22-19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H3,20,21,22,23)
InChIKeyMFSSUFJXSGFIBD-UHFFFAOYSA-N
XLogP3.20
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 2718104
6-methyl-2-(2-phenoxyethylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7575452
5-benzyl-4-methyl-2-(2-phenoxyethylsulfanyl)-1H-pyrimidin-6-one
CID 135413886
5-(4-fluorophenyl)-2-(2-phenoxyethylsulfanyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703022
2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-1H-pyrimidin-6-one
CID 135416153
2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135617877
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7575454
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-3H-quinazolin-4-one
CID 135449239
2-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136685686
N-[4-amino-2-(2-methoxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714732
4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
CID 135481509
2-[3-(4-ethylphenoxy)propylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 23411570

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one (CID 135415843) is 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one is COc1ccc(OCCSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is MFSSUFJXSGFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-14-7-9-15(10-8-14)25-11-12-26-19-21-17(20)16(18(23)22-19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H3,20,21,22,23).
What are the key properties of 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 369.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135415843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).