2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol

C30H34N6O2 — CID 159444719

IUPAC2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol
SMILESC/C(=C/Nc1cnccn1)c1cc(C)c(O)c(C)c1.C/C(=C\Nc1cnccn1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/2C15H17N3O/c2*1-10-6-13(7-11(2)15(10)19)12(3)8-18-14-9-16-4-5-17-14/h2*4-9,19H,1-3H3,(H,17,18)/b12-8+;12-8-
InChIKeyLSPSYOWPMKFQEV-UYHWXQPNSA-N
MW510.64 g/mol
LogP6.54
Rot. Bonds6

About 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol

2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol (PubChem CID 159444719) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol
PubChem CID159444719
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol
SMILESC/C(=C/Nc1cnccn1)c1cc(C)c(O)c(C)c1.C/C(=C\Nc1cnccn1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/2C15H17N3O/c2*1-10-6-13(7-11(2)15(10)19)12(3)8-18-14-9-16-4-5-17-14/h2*4-9,19H,1-3H3,(H,17,18)/b12-8+;12-8-
InChIKeyLSPSYOWPMKFQEV-UYHWXQPNSA-N
XLogP6.54
TPSA116.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 56.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol with MolForge

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Related Compounds

4-[2-(4-hydroxy-3,5-dimethylphenyl)prop-1-enyl]-2,6-dimethylphenol
CID 54516213
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193
3,5-dihydroxy-N-pyrazin-2-ylbenzamide
CID 107703696
4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 21109041
acetylene;butane;N-pyrazin-2-ylformamide
CID 143752178
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956
1,1-dimethyl-2-pyrazin-2-ylhydrazine
CID 83025719
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
2,4,6-trimethyl-3-(pyrazin-2-ylmethylideneamino)phenol
CID 23569050
N-(4-chloro-2-methylphenyl)pyrazin-2-amine
CID 118286926
4-methyl-3-[2-(pyrazin-2-ylamino)ethylsulfamoyl]benzoic acid
CID 138997308
1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide
CID 99611243

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol (CID 159444719) is 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol is C/C(=C/Nc1cnccn1)c1cc(C)c(O)c(C)c1.C/C(=C\Nc1cnccn1)c1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol?
The InChIKey is LSPSYOWPMKFQEV-UYHWXQPNSA-N. The full InChI is InChI=1S/2C15H17N3O/c2*1-10-6-13(7-11(2)15(10)19)12(3)8-18-14-9-16-4-5-17-14/h2*4-9,19H,1-3H3,(H,17,18)/b12-8+;12-8-.
What are the key properties of 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol?
2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol has a molecular weight of 510.64 g/mol, XLogP of 6.54, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol;2,6-dimethyl-4-[(Z)-1-(pyrazin-2-ylamino)prop-1-en-2-yl]phenol is sourced from PubChem (CID 159444719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).