2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C21H32N4O — CID 70761551

IUPAC2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1c(C)nc(C)nc1N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C21H32N4O/c1-4-18-15(2)22-16(3)23-20(18)24-11-5-9-21(13-24)10-8-19(26)25(14-21)12-17-6-7-17/h17H,4-14H2,1-3H3
InChIKeyNBLKJADGMZBMCV-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.27
Rot. Bonds4

About 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70761551) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70761551
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1c(C)nc(C)nc1N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C21H32N4O/c1-4-18-15(2)22-16(3)23-20(18)24-11-5-9-21(13-24)10-8-19(26)25(14-21)12-17-6-7-17/h17H,4-14H2,1-3H3
InChIKeyNBLKJADGMZBMCV-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745770
2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
CID 70718159
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867499
(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95880852
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766
(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one
CID 97116245
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
CID 72938714
N-cyclohexyl-2-[(6R)-2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97128681
2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72938926
2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70750032

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70761551) is 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is CCc1c(C)nc(C)nc1N1CCCC2(CCC(=O)N(CC3CC3)C2)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NBLKJADGMZBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-18-15(2)22-16(3)23-20(18)24-11-5-9-21(13-24)10-8-19(26)25(14-21)12-17-6-7-17/h17H,4-14H2,1-3H3.
What are the key properties of 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70761551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).