4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C13H19N5O2 — CID 97451007

IUPAC4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESNC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C13H19N5O2/c14-11(19)17-6-2-13(3-7-17)10-18(8-9-20-13)12-15-4-1-5-16-12/h1,4-5H,2-3,6-10H2,(H2,14,19)
InChIKeyCGDDNRBGJSTTPI-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.23
Rot. Bonds1

About 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97451007) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97451007
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESNC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C13H19N5O2/c14-11(19)17-6-2-13(3-7-17)10-18(8-9-20-13)12-15-4-1-5-16-12/h1,4-5H,2-3,6-10H2,(H2,14,19)
InChIKeyCGDDNRBGJSTTPI-UHFFFAOYSA-N
XLogP0.23
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97451007) is 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is NC(=O)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is CGDDNRBGJSTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c14-11(19)17-6-2-13(3-7-17)10-18(8-9-20-13)12-15-4-1-5-16-12/h1,4-5H,2-3,6-10H2,(H2,14,19).
What are the key properties of 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97451007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).