2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol

C19H23N7O — CID 137048731

IUPAC2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol
SMILESCCc1nc(C)cn1CCc1nc(N)nc(N=C(C)c2ccccc2O)n1
InChIInChI=1S/C19H23N7O/c1-4-17-21-12(2)11-26(17)10-9-16-23-18(20)25-19(24-16)22-13(3)14-7-5-6-8-15(14)27/h5-8,11,27H,4,9-10H2,1-3H3,(H2,20,23,24,25)
InChIKeyPCTHPRFCOBKZPE-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.61
Rot. Bonds6

About 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol

2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 137048731) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol
PubChem CID137048731
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol
SMILESCCc1nc(C)cn1CCc1nc(N)nc(N=C(C)c2ccccc2O)n1
InChIInChI=1S/C19H23N7O/c1-4-17-21-12(2)11-26(17)10-9-16-23-18(20)25-19(24-16)22-13(3)14-7-5-6-8-15(14)27/h5-8,11,27H,4,9-10H2,1-3H3,(H2,20,23,24,25)
InChIKeyPCTHPRFCOBKZPE-UHFFFAOYSA-N
XLogP2.61
TPSA115.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-((N-(1-(1H-Imidazol-4-yl)-2-propyl)imino)phenylmethyl)phenol
CID 132222
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
Phenol, 2-[1-[[3-(1H-imidazol-1-yl)propyl]imino]ethyl]-
CID 136448550
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol
CID 46889146
2-{3-[(4-Methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}phenol
CID 135472762
2-[C-(2-hydroxyphenyl)-N-[2-(1H-imidazol-5-yl)-2-methylpropyl]carbonimidoyl]phenol
CID 137646939
2-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856589
2-(2'-Hydroxyphenyl)imidazo(1,2-a)pyridine
CID 610910
Isonaamine A
CID 11087724
2-[5-[Ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol
CID 155804541
2-{[(1-methyl-5-phenyl-1H-imidazol-2-yl)amino]methyl}phenol
CID 3519573

Frequently Asked Questions

What is the IUPAC name of 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol (CID 137048731) is 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol is CCc1nc(C)cn1CCc1nc(N)nc(N=C(C)c2ccccc2O)n1.
What is the InChIKey of 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is PCTHPRFCOBKZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-4-17-21-12(2)11-26(17)10-9-16-23-18(20)25-19(24-16)22-13(3)14-7-5-6-8-15(14)27/h5-8,11,27H,4,9-10H2,1-3H3,(H2,20,23,24,25).
What are the key properties of 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol?
2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol has a molecular weight of 365.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[4-amino-6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-1,3,5-triazin-2-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 137048731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).