carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate

C19H20N6O5 — CID 90741762

IUPACcarbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
SMILESCCN(CC)C(=O)Nc1cc(Oc2cccc3c2ccn3C(=O)OC(N)=O)ncn1
InChIInChI=1S/C19H20N6O5/c1-3-24(4-2)18(27)23-15-10-16(22-11-21-15)29-14-7-5-6-13-12(14)8-9-25(13)19(28)30-17(20)26/h5-11H,3-4H2,1-2H3,(H2,20,26)(H,21,22,23,27)
InChIKeyZGLUYZPYOMBZMK-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.16
Rot. Bonds5

About carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate

carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate (PubChem CID 90741762) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate.

Molecular Properties

Compound Namecarbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
PubChem CID90741762
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC Namecarbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
SMILESCCN(CC)C(=O)Nc1cc(Oc2cccc3c2ccn3C(=O)OC(N)=O)ncn1
InChIInChI=1S/C19H20N6O5/c1-3-24(4-2)18(27)23-15-10-16(22-11-21-15)29-14-7-5-6-13-12(14)8-9-25(13)19(28)30-17(20)26/h5-11H,3-4H2,1-2H3,(H2,20,26)(H,21,22,23,27)
InChIKeyZGLUYZPYOMBZMK-UHFFFAOYSA-N
XLogP3.16
TPSA141.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
CID 90795443
4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054791
2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508
ethyl 4-fluoroindole-1-carboxylate
CID 137467243
N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide
CID 23153603
diethyl 2-(1-butoxycarbonylindol-4-yl)oxypropanedioate
CID 70821042
3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 23153151
1-[3-(diethylamino)propyl]-3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1-methylurea
CID 23153258
3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-1-methylurea
CID 23153028
3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 84601056
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
CID 142783290

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
The IUPAC name of carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate (CID 90741762) is carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate.
What is the SMILES notation for carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
The canonical SMILES for carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate is CCN(CC)C(=O)Nc1cc(Oc2cccc3c2ccn3C(=O)OC(N)=O)ncn1.
What is the InChIKey of carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
The InChIKey is ZGLUYZPYOMBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c1-3-24(4-2)18(27)23-15-10-16(22-11-21-15)29-14-7-5-6-13-12(14)8-9-25(13)19(28)30-17(20)26/h5-11H,3-4H2,1-2H3,(H2,20,26)(H,21,22,23,27).
What are the key properties of carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate?
carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate has a molecular weight of 412.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate is sourced from PubChem (CID 90741762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).