phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate

C19H22N4O2 — CID 3234058

IUPACphenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C19H22N4O2/c24-18(25-16-6-2-1-3-7-16)23-12-4-8-19(15-23)9-13-22(14-19)17-20-10-5-11-21-17/h1-3,5-7,10-11H,4,8-9,12-15H2/t19-/m0/s1
InChIKeyZTZNPEAFKDHEEG-IBGZPJMESA-N
MW338.41 g/mol
LogP2.97
Rot. Bonds2

About phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate

phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3234058) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namephenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3234058
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namephenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C19H22N4O2/c24-18(25-16-6-2-1-3-7-16)23-12-4-8-19(15-23)9-13-22(14-19)17-20-10-5-11-21-17/h1-3,5-7,10-11H,4,8-9,12-15H2/t19-/m0/s1
InChIKeyZTZNPEAFKDHEEG-IBGZPJMESA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233977
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
morpholin-4-yl-[(5S)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450246
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
2-(pyridin-2-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171673288
phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3235523

Frequently Asked Questions

What is the IUPAC name of phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3234058) is phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate is O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is ZTZNPEAFKDHEEG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(25-16-6-2-1-3-7-16)23-12-4-8-19(15-23)9-13-22(14-19)17-20-10-5-11-21-17/h1-3,5-7,10-11H,4,8-9,12-15H2/t19-/m0/s1.
What are the key properties of phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3234058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).