5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one

C13H15N3O3 — CID 132587943

IUPAC5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1cccc(CNc2c(O)nc[nH]c2=O)c1
InChIInChI=1S/C13H15N3O3/c1-2-19-10-5-3-4-9(6-10)7-14-11-12(17)15-8-16-13(11)18/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyAAVCNTOFSFHTEF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.49
Rot. Bonds5

About 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one

5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 132587943) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID132587943
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1cccc(CNc2c(O)nc[nH]c2=O)c1
InChIInChI=1S/C13H15N3O3/c1-2-19-10-5-3-4-9(6-10)7-14-11-12(17)15-8-16-13(11)18/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyAAVCNTOFSFHTEF-UHFFFAOYSA-N
XLogP1.49
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 132587945
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 55245625
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267
6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
CID 80647155
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine
CID 106192754

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one (CID 132587943) is 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one is CCOc1cccc(CNc2c(O)nc[nH]c2=O)c1.
What is the InChIKey of 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AAVCNTOFSFHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-10-5-3-4-9(6-10)7-14-11-12(17)15-8-16-13(11)18/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 261.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 132587943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).