N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide

C14H20N4O2 — CID 136553466

IUPACN-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide
SMILESCOCc1nccc(NC(=O)N2CCCC23CCC3)n1
InChIInChI=1S/C14H20N4O2/c1-20-10-12-15-8-4-11(16-12)17-13(19)18-9-3-7-14(18)5-2-6-14/h4,8H,2-3,5-7,9-10H2,1H3,(H,15,16,17,19)
InChIKeyWOSHILUSAHIJIQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.17
Rot. Bonds3

About N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide

N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide (PubChem CID 136553466) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide
PubChem CID136553466
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide
SMILESCOCc1nccc(NC(=O)N2CCCC23CCC3)n1
InChIInChI=1S/C14H20N4O2/c1-20-10-12-15-8-4-11(16-12)17-13(19)18-9-3-7-14(18)5-2-6-14/h4,8H,2-3,5-7,9-10H2,1H3,(H,15,16,17,19)
InChIKeyWOSHILUSAHIJIQ-UHFFFAOYSA-N
XLogP2.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide (CID 136553466) is N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide is COCc1nccc(NC(=O)N2CCCC23CCC3)n1.
What is the InChIKey of N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide?
The InChIKey is WOSHILUSAHIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-10-12-15-8-4-11(16-12)17-13(19)18-9-3-7-14(18)5-2-6-14/h4,8H,2-3,5-7,9-10H2,1H3,(H,15,16,17,19).
What are the key properties of N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide?
N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide is sourced from PubChem (CID 136553466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).