N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C15H16N4O4 — CID 4201618

IUPACN-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCC(=NNC(=O)c1cc(=O)n(C)c(=O)n1C)c1ccc(O)cc1
InChIInChI=1S/C15H16N4O4/c1-9(10-4-6-11(20)7-5-10)16-17-14(22)12-8-13(21)19(3)15(23)18(12)2/h4-8,20H,1-3H3,(H,17,22)
InChIKeyRZPAHONXZOVDOB-UHFFFAOYSA-N
MW316.32 g/mol
LogP-0.06
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 4201618) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID4201618
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCC(=NNC(=O)c1cc(=O)n(C)c(=O)n1C)c1ccc(O)cc1
InChIInChI=1S/C15H16N4O4/c1-9(10-4-6-11(20)7-5-10)16-17-14(22)12-8-13(21)19(3)15(23)18(12)2/h4-8,20H,1-3H3,(H,17,22)
InChIKeyRZPAHONXZOVDOB-UHFFFAOYSA-N
XLogP-0.06
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 135684068
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione
CID 134923438
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 4201618) is N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is CC(=NNC(=O)c1cc(=O)n(C)c(=O)n1C)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is RZPAHONXZOVDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9(10-4-6-11(20)7-5-10)16-17-14(22)12-8-13(21)19(3)15(23)18(12)2/h4-8,20H,1-3H3,(H,17,22).
What are the key properties of N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethylideneamino]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 4201618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).