N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine

C17H15F2N3 — CID 112843885

IUPACN-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCCc3c(F)cccc3F)c2c1
InChIInChI=1S/C17H15F2N3/c1-11-5-6-16-13(9-11)17(22-10-21-16)20-8-7-12-14(18)3-2-4-15(12)19/h2-6,9-10H,7-8H2,1H3,(H,20,21,22)
InChIKeyUPWNPJNKPHGPTC-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.87
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine

N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine (PubChem CID 112843885) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine
PubChem CID112843885
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCCc3c(F)cccc3F)c2c1
InChIInChI=1S/C17H15F2N3/c1-11-5-6-16-13(9-11)17(22-10-21-16)20-8-7-12-14(18)3-2-4-15(12)19/h2-6,9-10H,7-8H2,1H3,(H,20,21,22)
InChIKeyUPWNPJNKPHGPTC-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine
CID 112843876
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
6-methyl-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327399
3-fluoro-4-[[(6-methylquinazolin-4-yl)amino]methyl]benzonitrile
CID 99814684
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 91641684
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
CID 133429933
5-methyl-N-[2-[(6-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133395378

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine (CID 112843885) is N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NCCc3c(F)cccc3F)c2c1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine?
The InChIKey is UPWNPJNKPHGPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c1-11-5-6-16-13(9-11)17(22-10-21-16)20-8-7-12-14(18)3-2-4-15(12)19/h2-6,9-10H,7-8H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine?
N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine has a molecular weight of 299.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-6-methylquinazolin-4-amine is sourced from PubChem (CID 112843885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).