2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol

C21H23N3O2 — CID 135966008

IUPAC2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol
SMILESCCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-7-17(15-8-5-4-6-9-15)23-21-14-22-13-18(24-21)16-10-11-19(25)20(12-16)26-2/h4-6,8-14,17,25H,3,7H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyKLJGXLQAPDMWTQ-KRWDZBQOSA-N
MW349.43 g/mol
LogP4.81
Rot. Bonds7

About 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol

2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol (PubChem CID 135966008) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol
PubChem CID135966008
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol
SMILESCCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-7-17(15-8-5-4-6-9-15)23-21-14-22-13-18(24-21)16-10-11-19(25)20(12-16)26-2/h4-6,8-14,17,25H,3,7H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyKLJGXLQAPDMWTQ-KRWDZBQOSA-N
XLogP4.81
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol with MolForge

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Related Compounds

N-[3-(1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl)phenyl]pyridine-3-carboxamide
CID 135507511
N-{3-[(1S)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}pyridine-3-carboxamide
CID 135875689
2-Methoxy-6-[(pyridin-2-ylamino)methyl]phenol
CID 853803
N-{3-[(1R)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}pyridine-3-carboxamide
CID 135430734
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}phenol
CID 11595532
2-Methoxy-6-(((4-methylpyridin-2-yl)amino)methyl)phenol
CID 853804
2-[2-(3,4-Dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 8900952
N-benzyl-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
CID 171129
2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
CID 5309317
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107
4-N-cyclopentyl-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
CID 17926282
5-(6,7-dimethoxyisoquinolin-1-yl)-N-isopropylpyridin-2-amine
CID 24852232

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol (CID 135966008) is 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol is CCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1.
What is the InChIKey of 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol?
The InChIKey is KLJGXLQAPDMWTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-7-17(15-8-5-4-6-9-15)23-21-14-22-13-18(24-21)16-10-11-19(25)20(12-16)26-2/h4-6,8-14,17,25H,3,7H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol?
2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol has a molecular weight of 349.43 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol is sourced from PubChem (CID 135966008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).