[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol

C21H22N4O2 — CID 174537284

IUPAC[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol
SMILESNc1ccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)cc1
InChIInChI=1S/C21H22N4O2/c22-17-6-4-15(5-7-17)18-11-19(20-12-23-8-9-27-20)25-21(24-18)16-3-1-2-14(10-16)13-26/h1-7,10-11,20,23,26H,8-9,12-13,22H2
InChIKeyBXYIOOQAEDEXHA-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.55
Rot. Bonds4

About [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol

[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol (PubChem CID 174537284) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol
PubChem CID174537284
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol
SMILESNc1ccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)cc1
InChIInChI=1S/C21H22N4O2/c22-17-6-4-15(5-7-17)18-11-19(20-12-23-8-9-27-20)25-21(24-18)16-3-1-2-14(10-16)13-26/h1-7,10-11,20,23,26H,8-9,12-13,22H2
InChIKeyBXYIOOQAEDEXHA-UHFFFAOYSA-N
XLogP2.55
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
CID 174523651
N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide
CID 175250592
N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
CID 174523676
3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline
CID 174537282
2-[6-bromo-2-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174524972
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174523685
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
(4-fluoro-3-morpholin-2-ylphenyl)methanol
CID 117301215
2-morpholin-2-yl-5-phenylaniline
CID 175280978
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
2-pyridin-2-ylmorpholine
CID 19353403

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol (CID 174537284) is [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol is Nc1ccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)cc1.
What is the InChIKey of [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol?
The InChIKey is BXYIOOQAEDEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-17-6-4-15(5-7-17)18-11-19(20-12-23-8-9-27-20)25-21(24-18)16-3-1-2-14(10-16)13-26/h1-7,10-11,20,23,26H,8-9,12-13,22H2.
What are the key properties of [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol?
[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol has a molecular weight of 362.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 174537284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).