9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C16H19FN6 — CID 118739498

IUPAC9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H19FN6/c17-13-9-20-15(21-10-13)22-7-1-3-16(11-22)4-8-23(12-16)14-18-5-2-6-19-14/h2,5-6,9-10H,1,3-4,7-8,11-12H2
InChIKeyNSNMTFATSXPSBM-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.90
Rot. Bonds2

About 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 118739498) has the molecular formula C16H19FN6 and a molecular weight of 314.37 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID118739498
Molecular FormulaC16H19FN6
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H19FN6/c17-13-9-20-15(21-10-13)22-7-1-3-16(11-22)4-8-23(12-16)14-18-5-2-6-19-14/h2,5-6,9-10H,1,3-4,7-8,11-12H2
InChIKeyNSNMTFATSXPSBM-UHFFFAOYSA-N
XLogP1.90
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 118739498) is 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is Fc1cnc(N2CCCC3(CCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is NSNMTFATSXPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6/c17-13-9-20-15(21-10-13)22-7-1-3-16(11-22)4-8-23(12-16)14-18-5-2-6-19-14/h2,5-6,9-10H,1,3-4,7-8,11-12H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 314.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).