6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline

C18H18FN5O2 — CID 171702618

IUPAC6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
SMILESCOc1cnc(OC2CCCN(c3ncnc4ccc(F)cc34)C2)nc1
InChIInChI=1S/C18H18FN5O2/c1-25-14-8-20-18(21-9-14)26-13-3-2-6-24(10-13)17-15-7-12(19)4-5-16(15)22-11-23-17/h4-5,7-9,11,13H,2-3,6,10H2,1H3
InChIKeyDJWAUCWRMHFHPL-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.62
Rot. Bonds4

About 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline

6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline (PubChem CID 171702618) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
PubChem CID171702618
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
SMILESCOc1cnc(OC2CCCN(c3ncnc4ccc(F)cc34)C2)nc1
InChIInChI=1S/C18H18FN5O2/c1-25-14-8-20-18(21-9-14)26-13-3-2-6-24(10-13)17-15-7-12(19)4-5-16(15)22-11-23-17/h4-5,7-9,11,13H,2-3,6,10H2,1H3
InChIKeyDJWAUCWRMHFHPL-UHFFFAOYSA-N
XLogP2.62
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline (CID 171702618) is 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline is COc1cnc(OC2CCCN(c3ncnc4ccc(F)cc34)C2)nc1.
What is the InChIKey of 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline?
The InChIKey is DJWAUCWRMHFHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-25-14-8-20-18(21-9-14)26-13-3-2-6-24(10-13)17-15-7-12(19)4-5-16(15)22-11-23-17/h4-5,7-9,11,13H,2-3,6,10H2,1H3.
What are the key properties of 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline?
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline has a molecular weight of 355.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline is sourced from PubChem (CID 171702618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).