6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine

C15H18F2N4 — CID 86300189

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine
SMILESCc1cc(N2CCC(F)(F)C2)cc2c(N(C)C)ncnc12
InChIInChI=1S/C15H18F2N4/c1-10-6-11(21-5-4-15(16,17)8-21)7-12-13(10)18-9-19-14(12)20(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyAZYPQURWKFWAEV-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.85
Rot. Bonds2

About 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine

6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine (PubChem CID 86300189) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine
PubChem CID86300189
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine
SMILESCc1cc(N2CCC(F)(F)C2)cc2c(N(C)C)ncnc12
InChIInChI=1S/C15H18F2N4/c1-10-6-11(21-5-4-15(16,17)8-21)7-12-13(10)18-9-19-14(12)20(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyAZYPQURWKFWAEV-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine (CID 86300189) is 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine is Cc1cc(N2CCC(F)(F)C2)cc2c(N(C)C)ncnc12.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine?
The InChIKey is AZYPQURWKFWAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-10-6-11(21-5-4-15(16,17)8-21)7-12-13(10)18-9-19-14(12)20(2)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine?
6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine has a molecular weight of 292.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-N,N,8-trimethylquinazolin-4-amine is sourced from PubChem (CID 86300189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).