2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

C16H18FN5O2 — CID 133145122

IUPAC2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(OC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C16H18FN5O2/c1-11-2-4-18-15(21-11)24-13-3-5-23-16(6-13)9-22(10-16)14-19-7-12(17)8-20-14/h2,4,7-8,13H,3,5-6,9-10H2,1H3
InChIKeyHDVTXEKASHFLRH-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.53
Rot. Bonds3

About 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133145122) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133145122
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(OC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C16H18FN5O2/c1-11-2-4-18-15(21-11)24-13-3-5-23-16(6-13)9-22(10-16)14-19-7-12(17)8-20-14/h2,4,7-8,13H,3,5-6,9-10H2,1H3
InChIKeyHDVTXEKASHFLRH-UHFFFAOYSA-N
XLogP1.53
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (CID 133145122) is 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(OC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is HDVTXEKASHFLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-11-2-4-18-15(21-11)24-13-3-5-23-16(6-13)9-22(10-16)14-19-7-12(17)8-20-14/h2,4,7-8,13H,3,5-6,9-10H2,1H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 331.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133145122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).