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

C14H20N4O2 — CID 3233892

IUPACmethyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H20N4O2/c1-20-13(19)18-8-2-4-14(11-18)5-9-17(10-14)12-15-6-3-7-16-12/h3,6-7H,2,4-5,8-11H2,1H3/t14-/m0/s1
InChIKeyMKPVUKGXPLWJJP-AWEZNQCLSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds1

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

methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3233892) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3233892
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namemethyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H20N4O2/c1-20-13(19)18-8-2-4-14(11-18)5-9-17(10-14)12-15-6-3-7-16-12/h3,6-7H,2,4-5,8-11H2,1H3/t14-/m0/s1
InChIKeyMKPVUKGXPLWJJP-AWEZNQCLSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-(1-(pyrimidin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54580903
Tert-butyl 1'-pyrimidin-4-yl-4,4'-bipiperidine-1-carboxylate
CID 54586777
Methyl 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234894
(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 3233093
Methyl 9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3234637
1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3232641
2-Methoxy-1-(2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234225
1-(2-Pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234494
(5S)-7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3235014
1-(9-Pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235364
2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3235433
2-Ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370141

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3233892) is methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate is COC(=O)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is MKPVUKGXPLWJJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-13(19)18-8-2-4-14(11-18)5-9-17(10-14)12-15-6-3-7-16-12/h3,6-7H,2,4-5,8-11H2,1H3/t14-/m0/s1.
What are the key properties of methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate?
methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3233892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).