(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C20H33N5O — CID 95866660

IUPAC(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1cncnc1N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C20H33N5O/c1-16(2)17-12-21-15-22-19(17)25-9-5-7-20(14-25)8-6-18(26)24(13-20)11-10-23(3)4/h12,15-16H,5-11,13-14H2,1-4H3/t20-/m0/s1
InChIKeyDJKBGZRARLGYCS-FQEVSTJZSA-N
MW359.52 g/mol
LogP2.37
Rot. Bonds5

About (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95866660) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95866660
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1cncnc1N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C20H33N5O/c1-16(2)17-12-21-15-22-19(17)25-9-5-7-20(14-25)8-6-18(26)24(13-20)11-10-23(3)4/h12,15-16H,5-11,13-14H2,1-4H3/t20-/m0/s1
InChIKeyDJKBGZRARLGYCS-FQEVSTJZSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70744940
2-[2-(dimethylamino)ethyl]-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742722
2-[2-(dimethylamino)ethyl]-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715455
2-[2-(dimethylamino)ethyl]-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70782576
8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746280
2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70739709
2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742005
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 97113802
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
(6S)-8-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97042051
(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870785

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95866660) is (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)c1cncnc1N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1.
What is the InChIKey of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is DJKBGZRARLGYCS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33N5O/c1-16(2)17-12-21-15-22-19(17)25-9-5-7-20(14-25)8-6-18(26)24(13-20)11-10-23(3)4/h12,15-16H,5-11,13-14H2,1-4H3/t20-/m0/s1.
What are the key properties of (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95866660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).