N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C14H14N4O4 — CID 110526298

IUPACN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C14H14N4O4/c1-8-11(13(21)17-14(22)16-8)6-12(20)18-15-7-9-3-2-4-10(19)5-9/h2-5,7,19H,6H2,1H3,(H,18,20)(H2,16,17,21,22)/b15-7-
InChIKeyYDPABMQBVPJPEE-CHHVJCJISA-N
MW302.29 g/mol
LogP-0.23
Rot. Bonds4

About N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 110526298) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID110526298
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C14H14N4O4/c1-8-11(13(21)17-14(22)16-8)6-12(20)18-15-7-9-3-2-4-10(19)5-9/h2-5,7,19H,6H2,1H3,(H,18,20)(H2,16,17,21,22)/b15-7-
InChIKeyYDPABMQBVPJPEE-CHHVJCJISA-N
XLogP-0.23
TPSA127.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-(3-hydroxybenzylidene)acetohydrazide
CID 6865279
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135510947
3-Hydroxybenzaldehyde (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone
CID 46498878
N'-(4-hydroxybenzylidene)-2-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)acetohydrazide
CID 135470924
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 687684
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 687796
6-[2-[(3-Hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
CID 12004447
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide
CID 135412034
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 135494053
2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509495
Pyrimidine-2,4(1H,3H)-dione, 3-(2-hydroxybenzylidenamino)-6-methyl-
CID 135747333
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 687847

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 110526298) is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N/N=C\c1cccc(O)c1.
What is the InChIKey of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is YDPABMQBVPJPEE-CHHVJCJISA-N. The full InChI is InChI=1S/C14H14N4O4/c1-8-11(13(21)17-14(22)16-8)6-12(20)18-15-7-9-3-2-4-10(19)5-9/h2-5,7,19H,6H2,1H3,(H,18,20)(H2,16,17,21,22)/b15-7-.
What are the key properties of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 302.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 110526298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).