N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine

C14H13F2N5 — CID 38773020

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1nccn1C(F)F)c1ncnc2ccccc12
InChIInChI=1S/C14H13F2N5/c1-20(8-12-17-6-7-21(12)14(15)16)13-10-4-2-3-5-11(10)18-9-19-13/h2-7,9,14H,8H2,1H3
InChIKeyNDMXWBZOTCRIOR-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.86
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine (PubChem CID 38773020) has the molecular formula C14H13F2N5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine
PubChem CID38773020
Molecular FormulaC14H13F2N5
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1nccn1C(F)F)c1ncnc2ccccc12
InChIInChI=1S/C14H13F2N5/c1-20(8-12-17-6-7-21(12)14(15)16)13-10-4-2-3-5-11(10)18-9-19-13/h2-7,9,14H,8H2,1H3
InChIKeyNDMXWBZOTCRIOR-UHFFFAOYSA-N
XLogP2.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
CID 38341753
N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 171702612
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,2-trimethylindole-3-sulfonamide
CID 126797835
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
CID 113223335
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66184805
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894555
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601221
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine (CID 38773020) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine is CN(Cc1nccn1C(F)F)c1ncnc2ccccc12.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine?
The InChIKey is NDMXWBZOTCRIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5/c1-20(8-12-17-6-7-21(12)14(15)16)13-10-4-2-3-5-11(10)18-9-19-13/h2-7,9,14H,8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine has a molecular weight of 289.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 38773020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).