(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H25N5O — CID 95862608

IUPAC(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1
InChIInChI=1S/C20H25N5O/c1-16-21-11-7-18(23-16)24-12-4-8-20(14-24)9-6-19(26)25(15-20)13-17-5-2-3-10-22-17/h2-3,5,7,10-11H,4,6,8-9,12-15H2,1H3/t20-/m0/s1
InChIKeyWXKCFTIQWRNVHL-FQEVSTJZSA-N
MW351.45 g/mol
LogP2.59
Rot. Bonds3

About (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95862608) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95862608
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1
InChIInChI=1S/C20H25N5O/c1-16-21-11-7-18(23-16)24-12-4-8-20(14-24)9-6-19(26)25(15-20)13-17-5-2-3-10-22-17/h2-3,5,7,10-11H,4,6,8-9,12-15H2,1H3/t20-/m0/s1
InChIKeyWXKCFTIQWRNVHL-FQEVSTJZSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711857
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70770124
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70762499
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
(6R)-8-(2-hydroxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896840
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70739672
(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867395
1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
CID 95870290
4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
CID 95874562
(6S)-8-(2-propan-2-yloxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869134
6-[[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97120264

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95862608) is (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1nccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1.
What is the InChIKey of (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is WXKCFTIQWRNVHL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16-21-11-7-18(23-16)24-12-4-8-20(14-24)9-6-19(26)25(15-20)13-17-5-2-3-10-22-17/h2-3,5,7,10-11H,4,6,8-9,12-15H2,1H3/t20-/m0/s1.
What are the key properties of (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 351.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95862608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).