8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine

C19H12Cl2FN5O — CID 178009676

IUPAC8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine
SMILESNc1ncnc2c(-c3cccc(Cl)c3Cl)c(F)cc(OCc3ncccn3)c12
InChIInChI=1S/C19H12Cl2FN5O/c20-11-4-1-3-10(17(11)21)15-12(22)7-13(16-18(15)26-9-27-19(16)23)28-8-14-24-5-2-6-25-14/h1-7,9H,8H2,(H2,23,26,27)
InChIKeyMDUBBPLCOIMLRB-UHFFFAOYSA-N
MW416.24 g/mol
LogP4.69
Rot. Bonds4

About 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine

8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine (PubChem CID 178009676) has the molecular formula C19H12Cl2FN5O and a molecular weight of 416.24 g/mol. Its IUPAC name is 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine
PubChem CID178009676
Molecular FormulaC19H12Cl2FN5O
Molecular Weight416.24 g/mol
Exact Mass415.04
IUPAC Name8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine
SMILESNc1ncnc2c(-c3cccc(Cl)c3Cl)c(F)cc(OCc3ncccn3)c12
InChIInChI=1S/C19H12Cl2FN5O/c20-11-4-1-3-10(17(11)21)15-12(22)7-13(16-18(15)26-9-27-19(16)23)28-8-14-24-5-2-6-25-14/h1-7,9H,8H2,(H2,23,26,27)
InChIKeyMDUBBPLCOIMLRB-UHFFFAOYSA-N
XLogP4.69
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-8-(2,3-dichlorophenyl)quinazolin-6-ol
CID 178009421
5-(2,3-dichlorophenyl)-6-(phenoxymethyl)pyrimidine-2,4-diamine
CID 19705095
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
2-(2,3-dichlorophenyl)-3-fluoropyridine
CID 118819260
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
CID 102855349
3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine
CID 107476818
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol
CID 178009457
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
2-fluoro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 55108152
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine?
The IUPAC name of 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine (CID 178009676) is 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine is Nc1ncnc2c(-c3cccc(Cl)c3Cl)c(F)cc(OCc3ncccn3)c12.
What is the InChIKey of 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine?
The InChIKey is MDUBBPLCOIMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN5O/c20-11-4-1-3-10(17(11)21)15-12(22)7-13(16-18(15)26-9-27-19(16)23)28-8-14-24-5-2-6-25-14/h1-7,9H,8H2,(H2,23,26,27).
What are the key properties of 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine?
8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine has a molecular weight of 416.24 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dichlorophenyl)-7-fluoro-5-(pyrimidin-2-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 178009676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).