N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine

C17H21N5O2S — CID 119045660

IUPACN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine
SMILESCC(C)Cn1ccnc1CNc1ncnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C17H21N5O2S/c1-12(2)10-22-7-6-18-16(22)9-19-17-14-8-13(25(3,23)24)4-5-15(14)20-11-21-17/h4-8,11-12H,9-10H2,1-3H3,(H,19,20,21)
InChIKeyUZHOAHQWFNEPES-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.50
Rot. Bonds6

About N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine (PubChem CID 119045660) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine
PubChem CID119045660
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine
SMILESCC(C)Cn1ccnc1CNc1ncnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C17H21N5O2S/c1-12(2)10-22-7-6-18-16(22)9-19-17-14-8-13(25(3,23)24)4-5-15(14)20-11-21-17/h4-8,11-12H,9-10H2,1-3H3,(H,19,20,21)
InChIKeyUZHOAHQWFNEPES-UHFFFAOYSA-N
XLogP2.50
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119049577
(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
CID 124847327
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
2-[(dimethylsulfamoylamino)methyl]-1-(2-methylpropyl)imidazole
CID 84598575
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
CID 124743600
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 124843608
4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
CID 84599040
(2R)-1-[4-(6-methylsulfonylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 119049531

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine?
The IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine (CID 119045660) is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine is CC(C)Cn1ccnc1CNc1ncnc2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine?
The InChIKey is UZHOAHQWFNEPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-12(2)10-22-7-6-18-16(22)9-19-17-14-8-13(25(3,23)24)4-5-15(14)20-11-21-17/h4-8,11-12H,9-10H2,1-3H3,(H,19,20,21).
What are the key properties of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine?
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine has a molecular weight of 359.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine is sourced from PubChem (CID 119045660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).