8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

C19H29N5O — CID 97397069

IUPAC8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cnc(N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)nc1
InChIInChI=1S/C19H29N5O/c1-16-14-20-18(21-15-16)23-10-6-19(7-11-23)5-4-17(25)24(19)13-12-22-8-2-3-9-22/h14-15H,2-13H2,1H3
InChIKeyOKJABTSVRYEHJN-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.84
Rot. Bonds4

About 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397069) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397069
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cnc(N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)nc1
InChIInChI=1S/C19H29N5O/c1-16-14-20-18(21-15-16)23-10-6-19(7-11-23)5-4-17(25)24(19)13-12-22-8-2-3-9-22/h14-15H,2-13H2,1H3
InChIKeyOKJABTSVRYEHJN-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681182
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
8-(pyridin-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854522
6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913810
8-(5-fluoropyrimidin-2-yl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744025
1-(2-methylsulfonylethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682387
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757

Frequently Asked Questions

What is the IUPAC name of 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97397069) is 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1cnc(N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)nc1.
What is the InChIKey of 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OKJABTSVRYEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-16-14-20-18(21-15-16)23-10-6-19(7-11-23)5-4-17(25)24(19)13-12-22-8-2-3-9-22/h14-15H,2-13H2,1H3.
What are the key properties of 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 343.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).