2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol

C20H21N3O2 — CID 135428154

IUPAC2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
SMILESCCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-16(14-7-5-4-6-8-14)22-20-13-21-12-17(23-20)15-9-10-18(24)19(11-15)25-2/h4-13,16,24H,3H2,1-2H3,(H,22,23)
InChIKeyAITABWXKYWCQSY-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.42
Rot. Bonds6

About 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol

2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol (PubChem CID 135428154) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
PubChem CID135428154
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
SMILESCCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-16(14-7-5-4-6-8-14)22-20-13-21-12-17(23-20)15-9-10-18(24)19(11-15)25-2/h4-13,16,24H,3H2,1-2H3,(H,22,23)
InChIKeyAITABWXKYWCQSY-UHFFFAOYSA-N
XLogP4.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
CID 135525328
methane;2-methoxy-4-[6-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazin-2-yl]phenol
CID 158200755
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;methane
CID 159299405
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
CID 135464358
2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164615408
4-[6-(butan-2-ylamino)-4-(2-prop-2-enoxyphenyl)-2-pyridinyl]-2-methoxyphenol
CID 137306969
2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol
CID 136509632
N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 11395490

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol (CID 135428154) is 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol is CCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1.
What is the InChIKey of 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol?
The InChIKey is AITABWXKYWCQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-16(14-7-5-4-6-8-14)22-20-13-21-12-17(23-20)15-9-10-18(24)19(11-15)25-2/h4-13,16,24H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol?
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol has a molecular weight of 335.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 135428154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).