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

C19H28N4O — CID 70754125

IUPAC8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3cnc(C4CCCCC4)nc3)CC2)CN1
InChIInChI=1S/C19H28N4O/c24-17-10-19(14-22-17)6-8-23(9-7-19)13-15-11-20-18(21-12-15)16-4-2-1-3-5-16/h11-12,16H,1-10,13-14H2,(H,22,24)
InChIKeyIEVPAMOPJLIJCG-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.63
Rot. Bonds3

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

8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70754125) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70754125
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3cnc(C4CCCCC4)nc3)CC2)CN1
InChIInChI=1S/C19H28N4O/c24-17-10-19(14-22-17)6-8-23(9-7-19)13-15-11-20-18(21-12-15)16-4-2-1-3-5-16/h11-12,16H,1-10,13-14H2,(H,22,24)
InChIKeyIEVPAMOPJLIJCG-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724392
(5R)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724391
8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50953125
2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 128550324
N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 70737977
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56882656
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99942839
(3aR,6aR)-5-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 133130568
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99946557
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 133128512

Frequently Asked Questions

What is the IUPAC name of 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70754125) is 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(Cc3cnc(C4CCCCC4)nc3)CC2)CN1.
What is the InChIKey of 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is IEVPAMOPJLIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c24-17-10-19(14-22-17)6-8-23(9-7-19)13-15-11-20-18(21-12-15)16-4-2-1-3-5-16/h11-12,16H,1-10,13-14H2,(H,22,24).
What are the key properties of 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 328.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70754125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).