2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide

C13H19N5O — CID 149127001

IUPAC2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NC2CC3(CCNC3)C2)nc1
InChIInChI=1S/C13H19N5O/c1-14-11(19)9-6-16-12(17-7-9)18-10-4-13(5-10)2-3-15-8-13/h6-7,10,15H,2-5,8H2,1H3,(H,14,19)(H,16,17,18)
InChIKeyRBCCCOPGBYIADR-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.39
Rot. Bonds3

About 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide

2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide (PubChem CID 149127001) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide
PubChem CID149127001
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(NC2CC3(CCNC3)C2)nc1
InChIInChI=1S/C13H19N5O/c1-14-11(19)9-6-16-12(17-7-9)18-10-4-13(5-10)2-3-15-8-13/h6-7,10,15H,2-5,8H2,1H3,(H,14,19)(H,16,17,18)
InChIKeyRBCCCOPGBYIADR-UHFFFAOYSA-N
XLogP0.39
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide (CID 149127001) is 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(NC2CC3(CCNC3)C2)nc1.
What is the InChIKey of 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is RBCCCOPGBYIADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-14-11(19)9-6-16-12(17-7-9)18-10-4-13(5-10)2-3-15-8-13/h6-7,10,15H,2-5,8H2,1H3,(H,14,19)(H,16,17,18).
What are the key properties of 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide?
2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 149127001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).