ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate

C20H22N6O4 — CID 10001593

IUPACethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2nc(Nc3ccn[nH]3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N6O4/c1-2-29-19(27)14-3-5-15(6-4-14)30-20-23-17(22-16-7-8-21-25-16)13-18(24-20)26-9-11-28-12-10-26/h3-8,13H,2,9-12H2,1H3,(H2,21,22,23,24,25)
InChIKeyBQVYNARLTUEASH-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.75
Rot. Bonds7

About ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate

ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate (PubChem CID 10001593) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate.

Molecular Properties

Compound Nameethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate
PubChem CID10001593
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Nameethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate
SMILESCCOC(=O)c1ccc(Oc2nc(Nc3ccn[nH]3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N6O4/c1-2-29-19(27)14-3-5-15(6-4-14)30-20-23-17(22-16-7-8-21-25-16)13-18(24-20)26-9-11-28-12-10-26/h3-8,13H,2,9-12H2,1H3,(H2,21,22,23,24,25)
InChIKeyBQVYNARLTUEASH-UHFFFAOYSA-N
XLogP2.75
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate with MolForge

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Related Compounds

6-morpholin-4-yl-2-(2-phenylphenoxy)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 10364461
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate
CID 23827389
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(1H-pyrazol-5-yl)pyrimidine-4,6-diamine
CID 142845392
ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826
6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 42613649
1-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]but-3-en-2-one
CID 58264021
(4-ethoxycarbonylphenyl) 4-morpholin-4-ylpyridin-1-ium-2-carboxylate
CID 9455702
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate?
The IUPAC name of ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate (CID 10001593) is ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate.
What is the SMILES notation for ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate?
The canonical SMILES for ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate is CCOC(=O)c1ccc(Oc2nc(Nc3ccn[nH]3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate?
The InChIKey is BQVYNARLTUEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-2-29-19(27)14-3-5-15(6-4-14)30-20-23-17(22-16-7-8-21-25-16)13-18(24-20)26-9-11-28-12-10-26/h3-8,13H,2,9-12H2,1H3,(H2,21,22,23,24,25).
What are the key properties of ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate?
ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate has a molecular weight of 410.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate is sourced from PubChem (CID 10001593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).