4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol

C13H14F3N3O — CID 5330915

IUPAC4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(O)cc12
InChIInChI=1S/C13H14F3N3O/c1-12(2,3)19-10-8-6-7(20)4-5-9(8)17-11(18-10)13(14,15)16/h4-6,20H,1-3H3,(H,17,18,19)
InChIKeyPWMDSQXWWSXBPN-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.56
Rot. Bonds1

About 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol

4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol (PubChem CID 5330915) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol
PubChem CID5330915
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(O)cc12
InChIInChI=1S/C13H14F3N3O/c1-12(2,3)19-10-8-6-7(20)4-5-9(8)17-11(18-10)13(14,15)16/h4-6,20H,1-3H3,(H,17,18,19)
InChIKeyPWMDSQXWWSXBPN-UHFFFAOYSA-N
XLogP3.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol?
The IUPAC name of 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol (CID 5330915) is 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol is CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(O)cc12.
What is the InChIKey of 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol?
The InChIKey is PWMDSQXWWSXBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-12(2,3)19-10-8-6-7(20)4-5-9(8)17-11(18-10)13(14,15)16/h4-6,20H,1-3H3,(H,17,18,19).
What are the key properties of 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol?
4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol has a molecular weight of 285.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-ol is sourced from PubChem (CID 5330915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).