1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea

C16H19N5O4 — CID 3266951

IUPAC1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
SMILESCCNC(=O)NN=Cc1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H19N5O4/c1-4-17-15(22)21-18-10-11-7-5-6-8-12(11)25-16-19-13(23-2)9-14(20-16)24-3/h5-10H,4H2,1-3H3,(H2,17,21,22)
InChIKeyUREVVUIVYUNJCH-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.94
Rot. Bonds7

About 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea

1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea (PubChem CID 3266951) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea.

Molecular Properties

Compound Name1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
PubChem CID3266951
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
SMILESCCNC(=O)NN=Cc1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H19N5O4/c1-4-17-15(22)21-18-10-11-7-5-6-8-12(11)25-16-19-13(23-2)9-14(20-16)24-3/h5-10H,4H2,1-3H3,(H2,17,21,22)
InChIKeyUREVVUIVYUNJCH-UHFFFAOYSA-N
XLogP1.94
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 3657523
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
CID 4601155
N-[(E)-[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-methylphenyl]methylideneamino]-2-phenylacetamide
CID 6163631
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
tert-butyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]oxy-3-methylbutanoate
CID 3375552
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 20788818
N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 67848902
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
CID 143730152
4,6-dimethoxy-2-[2-(2-nitroprop-1-enyl)phenoxy]pyrimidine
CID 67671717
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54609722

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea?
The IUPAC name of 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea (CID 3266951) is 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea.
What is the SMILES notation for 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea?
The canonical SMILES for 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea is CCNC(=O)NN=Cc1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea?
The InChIKey is UREVVUIVYUNJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-4-17-15(22)21-18-10-11-7-5-6-8-12(11)25-16-19-13(23-2)9-14(20-16)24-3/h5-10H,4H2,1-3H3,(H2,17,21,22).
What are the key properties of 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea?
1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea has a molecular weight of 345.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea is sourced from PubChem (CID 3266951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).