N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

C15H23N5O2 — CID 118744055

IUPACN,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)C(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H23N5O2/c1-18(2)14(21)20-8-9-22-12-15(11-20)4-7-19(10-15)13-16-5-3-6-17-13/h3,5-6H,4,7-12H2,1-2H3
InChIKeyPXRJCIBHXBMNQQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.69
Rot. Bonds1

About N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118744055) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
PubChem CID118744055
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)C(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H23N5O2/c1-18(2)14(21)20-8-9-22-12-15(11-20)4-7-19(10-15)13-16-5-3-6-17-13/h3,5-6H,4,7-12H2,1-2H3
InChIKeyPXRJCIBHXBMNQQ-UHFFFAOYSA-N
XLogP0.69
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (CID 118744055) is N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is CN(C)C(=O)N1CCOCC2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is PXRJCIBHXBMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18(2)14(21)20-8-9-22-12-15(11-20)4-7-19(10-15)13-16-5-3-6-17-13/h3,5-6H,4,7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118744055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).