2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H35N5O — CID 70715515

IUPAC2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1ncc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cn1
InChIInChI=1S/C21H35N5O/c1-17(2)20-22-13-18(14-23-20)15-25-9-7-21(8-10-25)6-5-19(27)26(16-21)12-11-24(3)4/h13-14,17H,5-12,15-16H2,1-4H3
InChIKeyOPWVYQZOVIDPBK-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.37
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70715515) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70715515
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1ncc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cn1
InChIInChI=1S/C21H35N5O/c1-17(2)20-22-13-18(14-23-20)15-25-9-7-21(8-10-25)6-5-19(27)26(16-21)12-11-24(3)4/h13-14,17H,5-12,15-16H2,1-4H3
InChIKeyOPWVYQZOVIDPBK-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70715515) is 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CC(C)c1ncc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cn1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OPWVYQZOVIDPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-17(2)20-22-13-18(14-23-20)15-25-9-7-21(8-10-25)6-5-19(27)26(16-21)12-11-24(3)4/h13-14,17H,5-12,15-16H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.55 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70715515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).