N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide

C13H18N4O2 — CID 138010890

IUPACN-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCNC23CCC3)ncn1
InChIInChI=1S/C13H18N4O2/c1-19-11-7-9(14-8-15-11)12(18)17-10-3-6-16-13(10)4-2-5-13/h7-8,10,16H,2-6H2,1H3,(H,17,18)
InChIKeyOPVJDQCSNJSWCS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.50
Rot. Bonds3

About N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide

N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide (PubChem CID 138010890) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide
PubChem CID138010890
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCNC23CCC3)ncn1
InChIInChI=1S/C13H18N4O2/c1-19-11-7-9(14-8-15-11)12(18)17-10-3-6-16-13(10)4-2-5-13/h7-8,10,16H,2-6H2,1H3,(H,17,18)
InChIKeyOPVJDQCSNJSWCS-UHFFFAOYSA-N
XLogP0.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide (CID 138010890) is N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)NC2CCNC23CCC3)ncn1.
What is the InChIKey of N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide?
The InChIKey is OPVJDQCSNJSWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-11-7-9(14-8-15-11)12(18)17-10-3-6-16-13(10)4-2-5-13/h7-8,10,16H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide?
N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.4]octan-8-yl)-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 138010890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).