2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine

C14H18FN3O2 — CID 138627758

IUPAC2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2c(N)nc(C(C)(C)C)nc2c(F)c1OC
InChIInChI=1S/C14H18FN3O2/c1-14(2,3)13-17-10-7(12(16)18-13)6-8(19-4)11(20-5)9(10)15/h6H,1-5H3,(H2,16,17,18)
InChIKeyGOOHYKDCWVKBFI-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.67
Rot. Bonds2

About 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine

2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine (PubChem CID 138627758) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine
PubChem CID138627758
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2c(N)nc(C(C)(C)C)nc2c(F)c1OC
InChIInChI=1S/C14H18FN3O2/c1-14(2,3)13-17-10-7(12(16)18-13)6-8(19-4)11(20-5)9(10)15/h6H,1-5H3,(H2,16,17,18)
InChIKeyGOOHYKDCWVKBFI-UHFFFAOYSA-N
XLogP2.67
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-tert-butyl-8-iodo-6-methoxyquinazolin-7-ol
CID 138627756
8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine
CID 159697218
2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine
CID 158422425
2-bromo-6,7,8-trimethoxyquinazolin-4-amine
CID 154093660
N-(4-amino-2-tert-butyl-8-fluoro-7-hydroxy-6-methoxyquinazolin-5-yl)-N-methylacetamide
CID 138627728
1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-[(3S)-piperidin-3-yl]ethanone
CID 118046391
(3R)-3-amino-1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 118046158
1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)-2,5-dimethylpiperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 123493197
4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)-3-pyridin-2-ylpiperazine-1-carboxylic acid
CID 138595716
1-[5-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-(4-fluorophenyl)propan-1-one
CID 166762661
2-tert-butyl-5,6-dimethoxyquinolin-8-amine
CID 22262997
2-fluoro-8-(3,4,5-trimethoxyphenyl)sulfanyl-7H-purin-6-amine
CID 11314125

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine (CID 138627758) is 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine is COc1cc2c(N)nc(C(C)(C)C)nc2c(F)c1OC.
What is the InChIKey of 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is GOOHYKDCWVKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-14(2,3)13-17-10-7(12(16)18-13)6-8(19-4)11(20-5)9(10)15/h6H,1-5H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine?
2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 279.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 138627758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).