4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one

C11H10N4O2 — CID 135444958

IUPAC4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H10N4O2/c12-10-9(11(17)15-6-14-10)13-5-7-1-3-8(16)4-2-7/h1-6,16H,(H3,12,14,15,17)/b13-5+
InChIKeyIVZZJTFYWWKPNY-WLRTZDKTSA-N
MW230.23 g/mol
LogP0.81
Rot. Bonds2

About 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one

4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one (PubChem CID 135444958) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one
PubChem CID135444958
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H10N4O2/c12-10-9(11(17)15-6-14-10)13-5-7-1-3-8(16)4-2-7/h1-6,16H,(H3,12,14,15,17)/b13-5+
InChIKeyIVZZJTFYWWKPNY-WLRTZDKTSA-N
XLogP0.81
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

p-Hydroxybenzylideneimidazolinone
CID 136088121
2-(2-(4-Hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135470823
4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
CID 136930533
3-[(2-hydroxybenzylidene)-amino]-1H-pyridin-2-one
CID 136711080
6-Amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 136908488
6-Amino-5-[(4-hydroxyphenyl)methylideneamino]-1,3-dipropylpyrimidine-2,4-dione
CID 137316006
5-[(4-hydroxybenzylidene)amino]-2,4(1H,3H)-pyrimidinedione
CID 404522
5-[(E)-2-(4-hydroxyphenyl)ethenyl]-1H-pyrazin-2-one
CID 11715471
5-[2-(4-hydroxyphenyl)ethenyl]-1H-pyrazin-2-one
CID 67092574
5-[(4-hydroxyphenyl)methylideneamino]-1H-pyridin-2-one
CID 135530050
p-Hy-droxybenzylideneimidazolinone
CID 135697902
5-(4-Hydroxybenzylidene)-1H-imidazol-4(5H)-one
CID 136088021

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one (CID 135444958) is 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one is Nc1nc[nH]c(=O)c1/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one?
The InChIKey is IVZZJTFYWWKPNY-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-10-9(11(17)15-6-14-10)13-5-7-1-3-8(16)4-2-7/h1-6,16H,(H3,12,14,15,17)/b13-5+.
What are the key properties of 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one?
4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one has a molecular weight of 230.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135444958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).