5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline

C17H16FN5O — CID 72881279

IUPAC5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
SMILESFc1cccc2ncnc(N3CCC(Oc4ncccn4)CC3)c12
InChIInChI=1S/C17H16FN5O/c18-13-3-1-4-14-15(13)16(22-11-21-14)23-9-5-12(6-10-23)24-17-19-7-2-8-20-17/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyYSLCWKPKUSWDQS-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.61
Rot. Bonds3

About 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline

5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline (PubChem CID 72881279) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
PubChem CID72881279
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
SMILESFc1cccc2ncnc(N3CCC(Oc4ncccn4)CC3)c12
InChIInChI=1S/C17H16FN5O/c18-13-3-1-4-14-15(13)16(22-11-21-14)23-9-5-12(6-10-23)24-17-19-7-2-8-20-17/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyYSLCWKPKUSWDQS-UHFFFAOYSA-N
XLogP2.61
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline?
The IUPAC name of 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline (CID 72881279) is 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline.
What is the SMILES notation for 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline?
The canonical SMILES for 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline is Fc1cccc2ncnc(N3CCC(Oc4ncccn4)CC3)c12.
What is the InChIKey of 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline?
The InChIKey is YSLCWKPKUSWDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-13-3-1-4-14-15(13)16(22-11-21-14)23-9-5-12(6-10-23)24-17-19-7-2-8-20-17/h1-4,7-8,11-12H,5-6,9-10H2.
What are the key properties of 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline?
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline has a molecular weight of 325.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline is sourced from PubChem (CID 72881279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).