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

C21H27N5O — CID 70713152

IUPAC9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)ncn1
InChIInChI=1S/C21H27N5O/c1-17-13-19(24-16-23-17)25-11-7-21(8-12-25)6-4-20(27)26(15-21)10-5-18-3-2-9-22-14-18/h2-3,9,13-14,16H,4-8,10-12,15H2,1H3
InChIKeyBVKPOQBFNDKLNX-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.63
Rot. Bonds4

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

9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70713152) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70713152
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)ncn1
InChIInChI=1S/C21H27N5O/c1-17-13-19(24-16-23-17)25-11-7-21(8-12-25)6-4-20(27)26(15-21)10-5-18-3-2-9-22-14-18/h2-3,9,13-14,16H,4-8,10-12,15H2,1H3
InChIKeyBVKPOQBFNDKLNX-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70771548
2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70777393
9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72850393
9-(3-methylsulfanylbutyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70720382
9-[(2S)-2-aminobutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154898118
9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122526
9-(3-methylsulfanylpropanoyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72888632
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
9-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72928587
9-(6-oxopiperazine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72939438
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70713152) is 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)ncn1.
What is the InChIKey of 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BVKPOQBFNDKLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-17-13-19(24-16-23-17)25-11-7-21(8-12-25)6-4-20(27)26(15-21)10-5-18-3-2-9-22-14-18/h2-3,9,13-14,16H,4-8,10-12,15H2,1H3.
What are the key properties of 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70713152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).