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

C14H15N3O4 — CID 869185

IUPAC5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)=O)cc1Cc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-7(18)8-3-4-11(21-2)9(5-8)6-10-12(19)16-14(15)17-13(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,19,20)
InChIKeyLGENMLRLGNUBLB-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.86
Rot. Bonds4

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

5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 869185) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
PubChem CID869185
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)=O)cc1Cc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-7(18)8-3-4-11(21-2)9(5-8)6-10-12(19)16-14(15)17-13(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,19,20)
InChIKeyLGENMLRLGNUBLB-UHFFFAOYSA-N
XLogP0.86
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 5413798
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
4-[(5-acetyl-2-methoxyphenyl)methyl]-3,5,8,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 167753168
2-amino-4-hydroxy-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
CID 905989
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135437374
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808487
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 2798614
4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid
CID 3382960

Frequently Asked Questions

What is the IUPAC name of 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one (CID 869185) is 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one is COc1ccc(C(C)=O)cc1Cc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LGENMLRLGNUBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-7(18)8-3-4-11(21-2)9(5-8)6-10-12(19)16-14(15)17-13(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,19,20).
What are the key properties of 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one?
5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 289.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 869185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).