(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C19H30N4O2 — CID 97136277

IUPAC(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCCCc1nc(C)cc(NCCN2C[C@]3(CCOC3)CCC2=O)n1
InChIInChI=1S/C19H30N4O2/c1-3-4-5-16-21-15(2)12-17(22-16)20-9-10-23-13-19(7-6-18(23)24)8-11-25-14-19/h12H,3-11,13-14H2,1-2H3,(H,20,21,22)/t19-/m1/s1
InChIKeyPJZXYAREMZWKQI-LJQANCHMSA-N
MW346.48 g/mol
LogP2.57
Rot. Bonds7

About (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97136277) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97136277
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCCCc1nc(C)cc(NCCN2C[C@]3(CCOC3)CCC2=O)n1
InChIInChI=1S/C19H30N4O2/c1-3-4-5-16-21-15(2)12-17(22-16)20-9-10-23-13-19(7-6-18(23)24)8-11-25-14-19/h12H,3-11,13-14H2,1-2H3,(H,20,21,22)/t19-/m1/s1
InChIKeyPJZXYAREMZWKQI-LJQANCHMSA-N
XLogP2.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97136277) is (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CCCCc1nc(C)cc(NCCN2C[C@]3(CCOC3)CCC2=O)n1.
What is the InChIKey of (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is PJZXYAREMZWKQI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-4-5-16-21-15(2)12-17(22-16)20-9-10-23-13-19(7-6-18(23)24)8-11-25-14-19/h12H,3-11,13-14H2,1-2H3,(H,20,21,22)/t19-/m1/s1.
What are the key properties of (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 346.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97136277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).