2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C19H29N5O2 — CID 70766986

IUPAC2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)CC1=O
InChIInChI=1S/C19H29N5O2/c1-23-14-19(9-17(23)25)4-6-24(7-5-19)13-15-10-20-18(21-11-15)22-12-16-3-2-8-26-16/h10-11,16H,2-9,12-14H2,1H3,(H,20,21,22)
InChIKeyKJWSKNNPTONXLL-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.51
Rot. Bonds5

About 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70766986) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70766986
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)CC1=O
InChIInChI=1S/C19H29N5O2/c1-23-14-19(9-17(23)25)4-6-24(7-5-19)13-15-10-20-18(21-11-15)22-12-16-3-2-8-26-16/h10-11,16H,2-9,12-14H2,1H3,(H,20,21,22)
InChIKeyKJWSKNNPTONXLL-UHFFFAOYSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 648367
8-{[2-(Propylamino)pyrimidin-5-YL]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50975473
9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738935
[2-(5-Methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739019
2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118739200
(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155544399
(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155557263
N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20863907
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53165526
N-[(Oxolan-2-YL)methyl]-1-[4-(pyrrolidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70766986) is 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)CC1=O.
What is the InChIKey of 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KJWSKNNPTONXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-23-14-19(9-17(23)25)4-6-24(7-5-19)13-15-10-20-18(21-11-15)22-12-16-3-2-8-26-16/h10-11,16H,2-9,12-14H2,1H3,(H,20,21,22).
What are the key properties of 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70766986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).