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

C15H22N4O — CID 70754159

IUPAC2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ncc(CN2CCC3(CC2)CC(=O)N(C)C3)cn1
InChIInChI=1S/C15H22N4O/c1-12-16-8-13(9-17-12)10-19-5-3-15(4-6-19)7-14(20)18(2)11-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyAOJQZFDRTQONOJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.23
Rot. Bonds2

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

2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70754159) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70754159
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ncc(CN2CCC3(CC2)CC(=O)N(C)C3)cn1
InChIInChI=1S/C15H22N4O/c1-12-16-8-13(9-17-12)10-19-5-3-15(4-6-19)7-14(20)18(2)11-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyAOJQZFDRTQONOJ-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bmy 21502
CID 129930
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochloride
CID 3078652
1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3232641
8-{[2-(Propylamino)pyrimidin-5-YL]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50975473
8-[(2-Ethylpyrimidin-5-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725983
N~3~-[(2-amino-5-pyrimidinyl)methyl]-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide
CID 72902403
N-[(2-amino-5-pyrimidinyl)methyl]-1-(cyclopentylcarbonyl)-N-methyl-4-piperidinecarboxamide
CID 72920830
2-Ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370141
2-(Cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370274
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
(3aR,7aR)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403060
N,N-dimethyl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97449525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70754159) is 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1ncc(CN2CCC3(CC2)CC(=O)N(C)C3)cn1.
What is the InChIKey of 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AOJQZFDRTQONOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-16-8-13(9-17-12)10-19-5-3-15(4-6-19)7-14(20)18(2)11-15/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 274.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(2-methylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70754159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).