6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine

C15H16FN5 — CID 97337982

IUPAC6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine
SMILESC[C@@H](c1cnn(C)c1)N(C)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H16FN5/c1-10(11-7-19-20(2)8-11)21(3)15-13-6-12(16)4-5-14(13)17-9-18-15/h4-10H,1-3H3/t10-/m0/s1
InChIKeySUQGNHADXDXPPY-JTQLQIEISA-N
MW285.33 g/mol
LogP2.70
Rot. Bonds3

About 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine

6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine (PubChem CID 97337982) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine
PubChem CID97337982
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine
SMILESC[C@@H](c1cnn(C)c1)N(C)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H16FN5/c1-10(11-7-19-20(2)8-11)21(3)15-13-6-12(16)4-5-14(13)17-9-18-15/h4-10H,1-3H3/t10-/m0/s1
InChIKeySUQGNHADXDXPPY-JTQLQIEISA-N
XLogP2.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine (CID 97337982) is 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine is C[C@@H](c1cnn(C)c1)N(C)c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is SUQGNHADXDXPPY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN5/c1-10(11-7-19-20(2)8-11)21(3)15-13-6-12(16)4-5-14(13)17-9-18-15/h4-10H,1-3H3/t10-/m0/s1.
What are the key properties of 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine?
6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 97337982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).