N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C17H25FN4O3 — CID 70770197

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cnc(NC2CCOC3(CCOCC3)C2)nc1N1CCOCC1
InChIInChI=1S/C17H25FN4O3/c18-14-12-19-16(21-15(14)22-4-9-24-10-5-22)20-13-1-6-25-17(11-13)2-7-23-8-3-17/h12-13H,1-11H2,(H,19,20,21)
InChIKeyWZCSVMRXOJJWEM-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.59
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 70770197) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID70770197
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cnc(NC2CCOC3(CCOCC3)C2)nc1N1CCOCC1
InChIInChI=1S/C17H25FN4O3/c18-14-12-19-16(21-15(14)22-4-9-24-10-5-22)20-13-1-6-25-17(11-13)2-7-23-8-3-17/h12-13H,1-11H2,(H,19,20,21)
InChIKeyWZCSVMRXOJJWEM-UHFFFAOYSA-N
XLogP1.59
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 70770197) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is Fc1cnc(NC2CCOC3(CCOCC3)C2)nc1N1CCOCC1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is WZCSVMRXOJJWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3/c18-14-12-19-16(21-15(14)22-4-9-24-10-5-22)20-13-1-6-25-17(11-13)2-7-23-8-3-17/h12-13H,1-11H2,(H,19,20,21).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 352.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 70770197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).