N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide

C13H17N3O3 — CID 104626056

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1cncnc1
InChIInChI=1S/C13H17N3O3/c17-12(10-7-14-9-15-8-10)16-11-1-3-13(4-2-11)18-5-6-19-13/h7-9,11H,1-6H2,(H,16,17)
InChIKeyWIAJCBACWKNRFW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.89
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (PubChem CID 104626056) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
PubChem CID104626056
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1cncnc1
InChIInChI=1S/C13H17N3O3/c17-12(10-7-14-9-15-8-10)16-11-1-3-13(4-2-11)18-5-6-19-13/h7-9,11H,1-6H2,(H,16,17)
InChIKeyWIAJCBACWKNRFW-UHFFFAOYSA-N
XLogP0.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (CID 104626056) is N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is O=C(NC1CCC2(CC1)OCCO2)c1cncnc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The InChIKey is WIAJCBACWKNRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(10-7-14-9-15-8-10)16-11-1-3-13(4-2-11)18-5-6-19-13/h7-9,11H,1-6H2,(H,16,17).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104626056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).