9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H30N6O — CID 70739672

IUPAC9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)nc(N(C)C)n1
InChIInChI=1S/C22H30N6O/c1-17-14-19(25-21(24-17)26(2)3)27-12-9-22(10-13-27)8-7-20(29)28(16-22)15-18-6-4-5-11-23-18/h4-6,11,14H,7-10,12-13,15-16H2,1-3H3
InChIKeyQDSKUWWAOUYVOF-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.66
Rot. Bonds4

About 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70739672) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70739672
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)nc(N(C)C)n1
InChIInChI=1S/C22H30N6O/c1-17-14-19(25-21(24-17)26(2)3)27-12-9-22(10-13-27)8-7-20(29)28(16-22)15-18-6-4-5-11-23-18/h4-6,11,14H,7-10,12-13,15-16H2,1-3H3
InChIKeyQDSKUWWAOUYVOF-UHFFFAOYSA-N
XLogP2.66
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70785590
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70762499
9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72860013
(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95862608
2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711857
9-[[3-(2-aminoethyl)phenyl]methyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70719955
6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
CID 72862263
9-(4-methylpyrimidine-5-carbonyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72883442
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
9-(3-ethylsulfanylpropanoyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72874009
9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72842590
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70739672) is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)nc(N(C)C)n1.
What is the InChIKey of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QDSKUWWAOUYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-17-14-19(25-21(24-17)26(2)3)27-12-9-22(10-13-27)8-7-20(29)28(16-22)15-18-6-4-5-11-23-18/h4-6,11,14H,7-10,12-13,15-16H2,1-3H3.
What are the key properties of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 394.52 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70739672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).