(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C19H28N4O2 — CID 95724392

IUPAC(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@@]2(CCCN(Cc3cnc(C4CCCCC4)nc3)CC2)O1
InChIInChI=1S/C19H28N4O2/c24-18-22-14-19(25-18)7-4-9-23(10-8-19)13-15-11-20-17(21-12-15)16-5-2-1-3-6-16/h11-12,16H,1-10,13-14H2,(H,22,24)/t19-/m0/s1
InChIKeyHHZNJQIXTYDTFV-IBGZPJMESA-N
MW344.46 g/mol
LogP2.99
Rot. Bonds3

About (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95724392) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95724392
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@@]2(CCCN(Cc3cnc(C4CCCCC4)nc3)CC2)O1
InChIInChI=1S/C19H28N4O2/c24-18-22-14-19(25-18)7-4-9-23(10-8-19)13-15-11-20-17(21-12-15)16-5-2-1-3-6-16/h11-12,16H,1-10,13-14H2,(H,22,24)/t19-/m0/s1
InChIKeyHHZNJQIXTYDTFV-IBGZPJMESA-N
XLogP2.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724391
8-[(2-cyclohexylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70754125
(5S)-9-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936096
9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56912689
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 133128512
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 70737977
8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56912126
(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716878
[4-[(2-cyclohexylpyrimidin-5-yl)methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56882656
[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99942839

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95724392) is (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NC[C@@]2(CCCN(Cc3cnc(C4CCCCC4)nc3)CC2)O1.
What is the InChIKey of (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is HHZNJQIXTYDTFV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18-22-14-19(25-18)7-4-9-23(10-8-19)13-15-11-20-17(21-12-15)16-5-2-1-3-6-16/h11-12,16H,1-10,13-14H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95724392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).