(5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C18H26FN5O2 — CID 58653488

IUPAC(5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESNc1nc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)ncc1F
InChIInChI=1S/C18H26FN5O2/c19-14-10-21-17(22-15(14)20)23-8-1-6-18(11-23)7-9-24(16(18)26)12-2-4-13(25)5-3-12/h10,12-13,25H,1-9,11H2,(H2,20,21,22)/t12?,13?,18-/m1/s1
InChIKeyYZANJQOTGFHDLV-PWGQDJSOSA-N
MW363.44 g/mol
LogP1.32
Rot. Bonds2

About (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653488) has the molecular formula C18H26FN5O2 and a molecular weight of 363.44 g/mol. Its IUPAC name is (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653488
Molecular FormulaC18H26FN5O2
Molecular Weight363.44 g/mol
Exact Mass363.21
IUPAC Name(5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESNc1nc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)ncc1F
InChIInChI=1S/C18H26FN5O2/c19-14-10-21-17(22-15(14)20)23-8-1-6-18(11-23)7-9-24(16(18)26)12-2-4-13(25)5-3-12/h10,12-13,25H,1-9,11H2,(H2,20,21,22)/t12?,13?,18-/m1/s1
InChIKeyYZANJQOTGFHDLV-PWGQDJSOSA-N
XLogP1.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653488) is (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is Nc1nc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)ncc1F.
What is the InChIKey of (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YZANJQOTGFHDLV-PWGQDJSOSA-N. The full InChI is InChI=1S/C18H26FN5O2/c19-14-10-21-17(22-15(14)20)23-8-1-6-18(11-23)7-9-24(16(18)26)12-2-4-13(25)5-3-12/h10,12-13,25H,1-9,11H2,(H2,20,21,22)/t12?,13?,18-/m1/s1.
What are the key properties of (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 363.44 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).