5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol

C20H26N6O2 — CID 58654367

IUPAC5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCCNC(C)c2cc(C)nc(-n3ccnc3)n2)cc1O
InChIInChI=1S/C20H26N6O2/c1-14-10-17(25-20(24-14)26-9-8-22-13-26)15(2)23-7-6-21-12-16-4-5-19(28-3)18(27)11-16/h4-5,8-11,13,15,21,23,27H,6-7,12H2,1-3H3
InChIKeySFOAGZXGHGUXQC-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.13
Rot. Bonds9

About 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol

5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol (PubChem CID 58654367) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol
PubChem CID58654367
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCCNC(C)c2cc(C)nc(-n3ccnc3)n2)cc1O
InChIInChI=1S/C20H26N6O2/c1-14-10-17(25-20(24-14)26-9-8-22-13-26)15(2)23-7-6-21-12-16-4-5-19(28-3)18(27)11-16/h4-5,8-11,13,15,21,23,27H,6-7,12H2,1-3H3
InChIKeySFOAGZXGHGUXQC-UHFFFAOYSA-N
XLogP2.13
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 51114924
3-[2-[(3,4-dimethoxyphenyl)methylamino]ethylamino]-3-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N,N-dimethylpropanamide
CID 58654428
2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528
2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
CID 47008363
2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63090176
2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 86812024
ethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]amino]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)acetate
CID 11532532
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
4-(3-chloro-4-methoxyphenyl)-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]butanamide
CID 69347813

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol (CID 58654367) is 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol is COc1ccc(CNCCNC(C)c2cc(C)nc(-n3ccnc3)n2)cc1O.
What is the InChIKey of 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol?
The InChIKey is SFOAGZXGHGUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-10-17(25-20(24-14)26-9-8-22-13-26)15(2)23-7-6-21-12-16-4-5-19(28-3)18(27)11-16/h4-5,8-11,13,15,21,23,27H,6-7,12H2,1-3H3.
What are the key properties of 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol?
5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol has a molecular weight of 382.47 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethylamino]ethylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 58654367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).