[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea

C14H15N5O4 — CID 5189325

IUPAC[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15N5O4/c1-7-3-5-9(6-4-7)19-12(21)10(11(20)16-14(19)23)8(2)17-18-13(15)22/h3-6,21H,1-2H3,(H3,15,18,22)(H,16,20,23)
InChIKeyIZVVEKVEHMUGGB-UHFFFAOYSA-N
MW317.31 g/mol
LogP-0.07
Rot. Bonds3

About [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea

[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea (PubChem CID 5189325) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
PubChem CID5189325
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15N5O4/c1-7-3-5-9(6-4-7)19-12(21)10(11(20)16-14(19)23)8(2)17-18-13(15)22/h3-6,21H,1-2H3,(H3,15,18,22)(H,16,20,23)
InChIKeyIZVVEKVEHMUGGB-UHFFFAOYSA-N
XLogP-0.07
TPSA142.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]pentanamide
CID 3760321
2-[(E)-1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]guanidine
CID 135717373
6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 135679843
N-[(Z)-1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pentanamide
CID 137230095
2-chloro-N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]benzamide
CID 3532673
2-chloro-N-[(E)-1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]benzamide
CID 135630625
2-[(E)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]guanidine
CID 135684639
5-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3719384
6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 933886
6-hydroxy-5-[N-[(2-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 1491953
5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3512890
6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione
CID 135512469

Frequently Asked Questions

What is the IUPAC name of [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea?
The IUPAC name of [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea (CID 5189325) is [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea.
What is the SMILES notation for [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea?
The canonical SMILES for [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea is CC(=NNC(N)=O)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea?
The InChIKey is IZVVEKVEHMUGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-7-3-5-9(6-4-7)19-12(21)10(11(20)16-14(19)23)8(2)17-18-13(15)22/h3-6,21H,1-2H3,(H3,15,18,22)(H,16,20,23).
What are the key properties of [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea?
[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea has a molecular weight of 317.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea is sourced from PubChem (CID 5189325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).