4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one

C23H18N4O2 — CID 143568020

IUPAC4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one
SMILES[H]/N=C/c1cc(-c2cc(-c3ccc(Oc4ccccc4)cc3)[nH]c(=O)n2)ccc1N
InChIInChI=1S/C23H18N4O2/c24-14-17-12-16(8-11-20(17)25)22-13-21(26-23(28)27-22)15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-14,24H,25H2,(H,26,27,28)/b24-14+
InChIKeyWZDREQIWUIQIRG-ZVHZXABRSA-N
MW382.42 g/mol
LogP4.48
Rot. Bonds5

About 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one

4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 143568020) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one
PubChem CID143568020
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one
SMILES[H]/N=C/c1cc(-c2cc(-c3ccc(Oc4ccccc4)cc3)[nH]c(=O)n2)ccc1N
InChIInChI=1S/C23H18N4O2/c24-14-17-12-16(8-11-20(17)25)22-13-21(26-23(28)27-22)15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-14,24H,25H2,(H,26,27,28)/b24-14+
InChIKeyWZDREQIWUIQIRG-ZVHZXABRSA-N
XLogP4.48
TPSA104.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
CID 16661436
6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
CID 624641
2-methanimidoyl-4-methoxyaniline
CID 91224663
5-phenoxy-2-phenyl-1H-indol-7-amine
CID 173108757
N-(4-amino-3-methanimidoylphenyl)-6-methyl-2-oxo-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 88885706
3-amino-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82098987
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
2-amino-6-(3-formylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065794
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
5-(4-phenoxyphenyl)-1H-imidazol-2-amine
CID 82297784
1-[3-[5-amino-4-methanimidoyl-6-(4-phenoxyphenyl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130294679
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one (CID 143568020) is 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one is [H]/N=C/c1cc(-c2cc(-c3ccc(Oc4ccccc4)cc3)[nH]c(=O)n2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is WZDREQIWUIQIRG-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-14-17-12-16(8-11-20(17)25)22-13-21(26-23(28)27-22)15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-14,24H,25H2,(H,26,27,28)/b24-14+.
What are the key properties of 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one?
4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 382.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 143568020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).