2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine

C16H21F2N3O2 — CID 158422425

IUPAC2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine
SMILESCCCOc1c(OC)c(F)c2c(N)nc(C(C)(C)C)nc2c1F
InChIInChI=1S/C16H21F2N3O2/c1-6-7-23-13-10(18)11-8(9(17)12(13)22-5)14(19)21-15(20-11)16(2,3)4/h6-7H2,1-5H3,(H2,19,20,21)
InChIKeyDJHOXKQKADMDGV-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.59
Rot. Bonds4

About 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine

2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine (PubChem CID 158422425) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine
PubChem CID158422425
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine
SMILESCCCOc1c(OC)c(F)c2c(N)nc(C(C)(C)C)nc2c1F
InChIInChI=1S/C16H21F2N3O2/c1-6-7-23-13-10(18)11-8(9(17)12(13)22-5)14(19)21-15(20-11)16(2,3)4/h6-7H2,1-5H3,(H2,19,20,21)
InChIKeyDJHOXKQKADMDGV-UHFFFAOYSA-N
XLogP3.59
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine?
The IUPAC name of 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine (CID 158422425) is 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine.
What is the SMILES notation for 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine?
The canonical SMILES for 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine is CCCOc1c(OC)c(F)c2c(N)nc(C(C)(C)C)nc2c1F.
What is the InChIKey of 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine?
The InChIKey is DJHOXKQKADMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-6-7-23-13-10(18)11-8(9(17)12(13)22-5)14(19)21-15(20-11)16(2,3)4/h6-7H2,1-5H3,(H2,19,20,21).
What are the key properties of 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine?
2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine has a molecular weight of 325.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,8-difluoro-6-methoxy-7-propoxyquinazolin-4-amine is sourced from PubChem (CID 158422425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).