6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine

C15H16FN5 — CID 136539301

IUPAC6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine
SMILESCC(C)c1nn(C)cc1Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H16FN5/c1-9(2)14-13(7-21(3)20-14)19-15-11-6-10(16)4-5-12(11)17-8-18-15/h4-9H,1-3H3,(H,17,18,19)
InChIKeyRTCVTRPDPSAZKD-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.37
Rot. Bonds3

About 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine

6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine (PubChem CID 136539301) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine
PubChem CID136539301
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine
SMILESCC(C)c1nn(C)cc1Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C15H16FN5/c1-9(2)14-13(7-21(3)20-14)19-15-11-6-10(16)4-5-12(11)17-8-18-15/h4-9H,1-3H3,(H,17,18,19)
InChIKeyRTCVTRPDPSAZKD-UHFFFAOYSA-N
XLogP3.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine (CID 136539301) is 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine is CC(C)c1nn(C)cc1Nc1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine?
The InChIKey is RTCVTRPDPSAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-9(2)14-13(7-21(3)20-14)19-15-11-6-10(16)4-5-12(11)17-8-18-15/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine?
6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 136539301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).