6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C21H25FN6O — CID 130446869

IUPAC6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESFc1cn[nH]c1-c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H25FN6O/c22-18-12-25-27-20(18)14-1-6-19-17(11-14)21(24-13-23-19)26-15-2-4-16(5-3-15)28-7-9-29-10-8-28/h1,6,11-13,15-16H,2-5,7-10H2,(H,25,27)(H,23,24,26)
InChIKeyTYLAPHPNJJRFFH-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.21
Rot. Bonds4

About 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130446869) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130446869
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESFc1cn[nH]c1-c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H25FN6O/c22-18-12-25-27-20(18)14-1-6-19-17(11-14)21(24-13-23-19)26-15-2-4-16(5-3-15)28-7-9-29-10-8-28/h1,6,11-13,15-16H,2-5,7-10H2,(H,25,27)(H,23,24,26)
InChIKeyTYLAPHPNJJRFFH-UHFFFAOYSA-N
XLogP3.21
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130446869) is 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is Fc1cn[nH]c1-c1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is TYLAPHPNJJRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c22-18-12-25-27-20(18)14-1-6-19-17(11-14)21(24-13-23-19)26-15-2-4-16(5-3-15)28-7-9-29-10-8-28/h1,6,11-13,15-16H,2-5,7-10H2,(H,25,27)(H,23,24,26).
What are the key properties of 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 396.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-1H-pyrazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130446869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).