3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol

C18H16FN3O2 — CID 136509632

IUPAC3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol
SMILESOC[C@H](Nc1cncc(-c2ccc(O)cc2F)n1)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-15-8-13(24)6-7-14(15)16-9-20-10-18(21-16)22-17(11-23)12-4-2-1-3-5-12/h1-10,17,23-24H,11H2,(H,21,22)/t17-/m0/s1
InChIKeyNVRUFNAGSPVCGB-KRWDZBQOSA-N
MW325.34 g/mol
LogP3.13
Rot. Bonds5

About 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol

3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol (PubChem CID 136509632) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol
PubChem CID136509632
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol
SMILESOC[C@H](Nc1cncc(-c2ccc(O)cc2F)n1)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-15-8-13(24)6-7-14(15)16-9-20-10-18(21-16)22-17(11-23)12-4-2-1-3-5-12/h1-10,17,23-24H,11H2,(H,21,22)/t17-/m0/s1
InChIKeyNVRUFNAGSPVCGB-KRWDZBQOSA-N
XLogP3.13
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164615408
2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
(2S)-2-[[2-[(4-fluorophenyl)methylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 70863571
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
2-[(6-amino-2-pyridinyl)amino]-2-phenylethanol
CID 80647264
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol
CID 167928187
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-phenylethanol
CID 106771905
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 58717096
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol?
The IUPAC name of 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol (CID 136509632) is 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol?
The canonical SMILES for 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol is OC[C@H](Nc1cncc(-c2ccc(O)cc2F)n1)c1ccccc1.
What is the InChIKey of 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol?
The InChIKey is NVRUFNAGSPVCGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-8-13(24)6-7-14(15)16-9-20-10-18(21-16)22-17(11-23)12-4-2-1-3-5-12/h1-10,17,23-24H,11H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol?
3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol has a molecular weight of 325.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol is sourced from PubChem (CID 136509632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).