3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H32N4O2 — CID 95875056

IUPAC3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC[C@H](C)N1CC2(CCN(Cc3cnc(C(C)C)nc3)CC2)OC1=O
InChIInChI=1S/C20H32N4O2/c1-5-6-16(4)24-14-20(26-19(24)25)7-9-23(10-8-20)13-17-11-21-18(15(2)3)22-12-17/h11-12,15-16H,5-10,13-14H2,1-4H3/t16-/m0/s1
InChIKeyFTAUTTCWUWMYKH-INIZCTEOSA-N
MW360.50 g/mol
LogP3.58
Rot. Bonds6

About 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95875056) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95875056
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC[C@H](C)N1CC2(CCN(Cc3cnc(C(C)C)nc3)CC2)OC1=O
InChIInChI=1S/C20H32N4O2/c1-5-6-16(4)24-14-20(26-19(24)25)7-9-23(10-8-20)13-17-11-21-18(15(2)3)22-12-17/h11-12,15-16H,5-10,13-14H2,1-4H3/t16-/m0/s1
InChIKeyFTAUTTCWUWMYKH-INIZCTEOSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95875056) is 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC[C@H](C)N1CC2(CCN(Cc3cnc(C(C)C)nc3)CC2)OC1=O.
What is the InChIKey of 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FTAUTTCWUWMYKH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-6-16(4)24-14-20(26-19(24)25)7-9-23(10-8-20)13-17-11-21-18(15(2)3)22-12-17/h11-12,15-16H,5-10,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 360.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95875056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).