5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one

C15H17N3O4 — CID 713816

IUPAC5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(C(C)=O)cc1Cc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C15H17N3O4/c1-3-22-12-5-4-9(8(2)19)6-10(12)7-11-13(20)17-15(16)18-14(11)21/h4-6H,3,7H2,1-2H3,(H4,16,17,18,20,21)
InChIKeyMOSMCGFUJOWIOS-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.25
Rot. Bonds5

About 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one

5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 713816) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
PubChem CID713816
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(C(C)=O)cc1Cc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C15H17N3O4/c1-3-22-12-5-4-9(8(2)19)6-10(12)7-11-13(20)17-15(16)18-14(11)21/h4-6H,3,7H2,1-2H3,(H4,16,17,18,20,21)
InChIKeyMOSMCGFUJOWIOS-UHFFFAOYSA-N
XLogP1.25
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-acetyl-2-ethoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 684593
5-[(5-acetyl-2-methoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 838905
5-[(5-acetyl-2-propoxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 1904774
5-(3-Methyl-4-propoxybenzyl)-2-(methylsulfanyl)-4,6-pyrimidinediol
CID 1909478
N-(4-Butoxy-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 10316911
N-(4-Ethoxy-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149294
2-Amino-5-(3-methyl-4-propoxy-benzyl)-pyrimidine-4,6-diol
CID 1901313
5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 817048
1-[3-(4,6-Dihydroxy-pyrimidin-2-ylsulfanylmethyl)-4-propoxy-phenyl]-ethanone
CID 3103780
2-Amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550456
1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isobutoxy-phenyl]-ethanone
CID 817051
1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone
CID 713817

Frequently Asked Questions

What is the IUPAC name of 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one (CID 713816) is 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one is CCOc1ccc(C(C)=O)cc1Cc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MOSMCGFUJOWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-22-12-5-4-9(8(2)19)6-10(12)7-11-13(20)17-15(16)18-14(11)21/h4-6H,3,7H2,1-2H3,(H4,16,17,18,20,21).
What are the key properties of 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 303.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 713816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).