4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol

C22H25N5O2 — CID 117083977

IUPAC4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1
InChIInChI=1S/C22H25N5O2/c28-20-7-1-17(2-8-20)9-10-23-21-15-22(25-16-24-21)26-18-3-5-19(6-4-18)27-11-13-29-14-12-27/h1-8,15-16,28H,9-14H2,(H2,23,24,25,26)
InChIKeyMBURFULMPVGFEF-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.42
Rot. Bonds7

About 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117083977) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117083977
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1
InChIInChI=1S/C22H25N5O2/c28-20-7-1-17(2-8-20)9-10-23-21-15-22(25-16-24-21)26-18-3-5-19(6-4-18)27-11-13-29-14-12-27/h1-8,15-16,28H,9-14H2,(H2,23,24,25,26)
InChIKeyMBURFULMPVGFEF-UHFFFAOYSA-N
XLogP3.42
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
CID 117084853
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112855212
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
4-[2-[[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086809
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
6-N-[(4-fluorophenyl)methyl]-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112859815
6-N-[(4-methoxyphenyl)methyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112860298

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol (CID 117083977) is 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol is Oc1ccc(CCNc2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)cc1.
What is the InChIKey of 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is MBURFULMPVGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20-7-1-17(2-8-20)9-10-23-21-15-22(25-16-24-21)26-18-3-5-19(6-4-18)27-11-13-29-14-12-27/h1-8,15-16,28H,9-14H2,(H2,23,24,25,26).
What are the key properties of 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 391.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117083977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).