4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine

C16H16N6O — CID 168631115

IUPAC4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine
SMILESCc1cncc(Oc2ccc(C=Nn3cc(C)nc3N)cc2)n1
InChIInChI=1S/C16H16N6O/c1-11-7-18-9-15(20-11)23-14-5-3-13(4-6-14)8-19-22-10-12(2)21-16(22)17/h3-10H,1-2H3,(H2,17,21)
InChIKeyGSHSFJHTDGIBOG-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.55
Rot. Bonds4

About 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine (PubChem CID 168631115) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine
PubChem CID168631115
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine
SMILESCc1cncc(Oc2ccc(C=Nn3cc(C)nc3N)cc2)n1
InChIInChI=1S/C16H16N6O/c1-11-7-18-9-15(20-11)23-14-5-3-13(4-6-14)8-19-22-10-12(2)21-16(22)17/h3-10H,1-2H3,(H2,17,21)
InChIKeyGSHSFJHTDGIBOG-UHFFFAOYSA-N
XLogP2.55
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(2-chlorophenoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629560
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
4-methyl-1-[[4-(N-methylanilino)phenyl]methylideneamino]imidazol-2-amine
CID 168628875
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728
4-methyl-1-[[4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]imidazol-2-amine
CID 168631151
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629654
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629130

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine (CID 168631115) is 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine is Cc1cncc(Oc2ccc(C=Nn3cc(C)nc3N)cc2)n1.
What is the InChIKey of 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine?
The InChIKey is GSHSFJHTDGIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-11-7-18-9-15(20-11)23-14-5-3-13(4-6-14)8-19-22-10-12(2)21-16(22)17/h3-10H,1-2H3,(H2,17,21).
What are the key properties of 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine has a molecular weight of 308.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168631115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).