5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile

C19H24N4O — CID 133491293

IUPAC5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OC(C)CC(C)C)c1
InChIInChI=1S/C19H24N4O/c1-13(2)7-15(4)24-18-8-14(3)5-6-16(18)10-22-19-12-21-17(9-20)11-23-19/h5-6,8,11-13,15H,7,10H2,1-4H3,(H,22,23)
InChIKeyVEFKVJQEHOUWLV-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.08
Rot. Bonds7

About 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile

5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133491293) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133491293
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OC(C)CC(C)C)c1
InChIInChI=1S/C19H24N4O/c1-13(2)7-15(4)24-18-8-14(3)5-6-16(18)10-22-19-12-21-17(9-20)11-23-19/h5-6,8,11-13,15H,7,10H2,1-4H3,(H,22,23)
InChIKeyVEFKVJQEHOUWLV-UHFFFAOYSA-N
XLogP4.08
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
CID 133490921
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491288
5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
CID 133347394
6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
CID 133419821
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133484456
2-[[(5-cyanopyrazin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133290587
4-[6-[(2-butan-2-yloxy-4-methylphenyl)methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133493370
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
5-[[1-(2-methoxyphenyl)-3-methylbutyl]amino]pyrazine-2-carbonitrile
CID 133485104

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile (CID 133491293) is 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile is Cc1ccc(CNc2cnc(C#N)cn2)c(OC(C)CC(C)C)c1.
What is the InChIKey of 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is VEFKVJQEHOUWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)7-15(4)24-18-8-14(3)5-6-16(18)10-22-19-12-21-17(9-20)11-23-19/h5-6,8,11-13,15H,7,10H2,1-4H3,(H,22,23).
What are the key properties of 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).