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

C21H21FN4O2 — CID 69247298

IUPAC[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
SMILESNc1cc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)ccc1F
InChIInChI=1S/C21H21FN4O2/c22-17-5-4-15(11-18(17)23)19-12-20(26-6-8-28-9-7-26)25-21(24-19)16-3-1-2-14(10-16)13-27/h1-5,10-12,27H,6-9,13,23H2
InChIKeyHGBZUYUKROBPPH-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.86
Rot. Bonds4

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

[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol (PubChem CID 69247298) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
PubChem CID69247298
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
SMILESNc1cc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)ccc1F
InChIInChI=1S/C21H21FN4O2/c22-17-5-4-15(11-18(17)23)19-12-20(26-6-8-28-9-7-26)25-21(24-19)16-3-1-2-14(10-16)13-27/h1-5,10-12,27H,6-9,13,23H2
InChIKeyHGBZUYUKROBPPH-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 69247920
4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74244355
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
CID 5091017
2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807492
[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2S)-piperazin-2-yl]methanone
CID 24769547
4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134806764
N'-[[3-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]methyl]-N-methylethane-1,2-diamine
CID 146171721
2-fluoro-5-[2-pyridin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]aniline
CID 89380350
4-[2-(3-phenylmethoxyphenyl)-6-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 53326165
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
[3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol
CID 69195584
N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol (CID 69247298) is [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol is Nc1cc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)ccc1F.
What is the InChIKey of [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
The InChIKey is HGBZUYUKROBPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-5-4-15(11-18(17)23)19-12-20(26-6-8-28-9-7-26)25-21(24-19)16-3-1-2-14(10-16)13-27/h1-5,10-12,27H,6-9,13,23H2.
What are the key properties of [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol has a molecular weight of 380.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 69247298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).