5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile

C18H20N4O2 — CID 133490946

IUPAC5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OCC2CCOC2)c1
InChIInChI=1S/C18H20N4O2/c1-13-2-3-15(8-21-18-10-20-16(7-19)9-22-18)17(6-13)24-12-14-4-5-23-11-14/h2-3,6,9-10,14H,4-5,8,11-12H2,1H3,(H,21,22)
InChIKeyLFDCNKPPWUWMID-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.68
Rot. Bonds6

About 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile

5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133490946) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133490946
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OCC2CCOC2)c1
InChIInChI=1S/C18H20N4O2/c1-13-2-3-15(8-21-18-10-20-16(7-19)9-22-18)17(6-13)24-12-14-4-5-23-11-14/h2-3,6,9-10,14H,4-5,8,11-12H2,1H3,(H,21,22)
InChIKeyLFDCNKPPWUWMID-UHFFFAOYSA-N
XLogP2.68
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
CID 133490921
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491288
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
CID 97070107
1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971572
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491293
5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918213
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472317
N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
CID 97055346
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile (CID 133490946) is 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile is Cc1ccc(CNc2cnc(C#N)cn2)c(OCC2CCOC2)c1.
What is the InChIKey of 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is LFDCNKPPWUWMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-2-3-15(8-21-18-10-20-16(7-19)9-22-18)17(6-13)24-12-14-4-5-23-11-14/h2-3,6,9-10,14H,4-5,8,11-12H2,1H3,(H,21,22).
What are the key properties of 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile?
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133490946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).