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

C13H15N3O3 — CID 826182

IUPAC2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O3/c1-2-19-9-5-3-8(4-6-9)7-10-11(17)15-13(14)16-12(10)18/h3-6H,2,7H2,1H3,(H4,14,15,16,17,18)
InChIKeyVRIGLOLUKNDIKI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.05
Rot. Bonds4

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

2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 826182) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID826182
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O3/c1-2-19-9-5-3-8(4-6-9)7-10-11(17)15-13(14)16-12(10)18/h3-6H,2,7H2,1H3,(H4,14,15,16,17,18)
InChIKeyVRIGLOLUKNDIKI-UHFFFAOYSA-N
XLogP1.05
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 826182) is 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is CCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1.
What is the InChIKey of 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VRIGLOLUKNDIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-9-5-3-8(4-6-9)7-10-11(17)15-13(14)16-12(10)18/h3-6H,2,7H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 261.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 826182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).