[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol

C17H22N4O3 — CID 67297519

IUPAC[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
SMILESCCOc1c(CO)nc(-c2ccc(N)cc2)nc1N1CCOCC1
InChIInChI=1S/C17H22N4O3/c1-2-24-15-14(11-22)19-16(12-3-5-13(18)6-4-12)20-17(15)21-7-9-23-10-8-21/h3-6,22H,2,7-11,18H2,1H3
InChIKeyOLKZGZOFXIACQZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.45
Rot. Bonds5

About [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol

[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol (PubChem CID 67297519) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
PubChem CID67297519
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
SMILESCCOc1c(CO)nc(-c2ccc(N)cc2)nc1N1CCOCC1
InChIInChI=1S/C17H22N4O3/c1-2-24-15-14(11-22)19-16(12-3-5-13(18)6-4-12)20-17(15)21-7-9-23-10-8-21/h3-6,22H,2,7-11,18H2,1H3
InChIKeyOLKZGZOFXIACQZ-UHFFFAOYSA-N
XLogP1.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
CID 46201892
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
CID 68761453
ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 70975255
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
5-ethoxy-6-morpholin-4-yl-2-[4-(propan-2-ylcarbamoylamino)phenyl]pyrimidine-4-carboxylic acid
CID 122614590
ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate
CID 67298185
2-[2-(4-aminophenyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol
CID 145420416
4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]aniline
CID 46206789
ethyl 2-(3,5-difluorophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295376
phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
CID 67297392
ethyl 5-ethoxy-2-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295483
ethyl 2-[2-[2-(4-aminophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ylamino]pyrimidine-5-carboxylate
CID 66977876

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol (CID 67297519) is [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol is CCOc1c(CO)nc(-c2ccc(N)cc2)nc1N1CCOCC1.
What is the InChIKey of [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol?
The InChIKey is OLKZGZOFXIACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-24-15-14(11-22)19-16(12-3-5-13(18)6-4-12)20-17(15)21-7-9-23-10-8-21/h3-6,22H,2,7-11,18H2,1H3.
What are the key properties of [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol?
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol has a molecular weight of 330.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 67297519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).