2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide

C18H29N5O — CID 97482395

IUPAC2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
SMILESCCc1cnc(N2CC[C@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1
InChIInChI=1S/C18H29N5O/c1-4-15-10-19-17(20-11-15)23-9-7-18(14-23)6-5-8-22(13-18)12-16(24)21(2)3/h10-11H,4-9,12-14H2,1-3H3/t18-/m0/s1
InChIKeyDGPJDSVBCUPMHI-SFHVURJKSA-N
MW331.46 g/mol
LogP1.42
Rot. Bonds4

About 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide

2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide (PubChem CID 97482395) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
PubChem CID97482395
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
SMILESCCc1cnc(N2CC[C@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1
InChIInChI=1S/C18H29N5O/c1-4-15-10-19-17(20-11-15)23-9-7-18(14-23)6-5-8-22(13-18)12-16(24)21(2)3/h10-11H,4-9,12-14H2,1-3H3/t18-/m0/s1
InChIKeyDGPJDSVBCUPMHI-SFHVURJKSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide (CID 97482395) is 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide is CCc1cnc(N2CC[C@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1.
What is the InChIKey of 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide?
The InChIKey is DGPJDSVBCUPMHI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N5O/c1-4-15-10-19-17(20-11-15)23-9-7-18(14-23)6-5-8-22(13-18)12-16(24)21(2)3/h10-11H,4-9,12-14H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide?
2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide has a molecular weight of 331.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97482395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).