N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine

C18H23N5 — CID 110139260

IUPACN-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
SMILESCc1cccc(N2CCC3(CC(N(C)c4ccncn4)C3)C2)n1
InChIInChI=1S/C18H23N5/c1-14-4-3-5-17(21-14)23-9-7-18(12-23)10-15(11-18)22(2)16-6-8-19-13-20-16/h3-6,8,13,15H,7,9-12H2,1-2H3
InChIKeyVULRXZVHMXDQDU-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.68
Rot. Bonds3

About N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine

N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine (PubChem CID 110139260) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound NameN-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
PubChem CID110139260
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
SMILESCc1cccc(N2CCC3(CC(N(C)c4ccncn4)C3)C2)n1
InChIInChI=1S/C18H23N5/c1-14-4-3-5-17(21-14)23-9-7-18(12-23)10-15(11-18)22(2)16-6-8-19-13-20-16/h3-6,8,13,15H,7,9-12H2,1-2H3
InChIKeyVULRXZVHMXDQDU-UHFFFAOYSA-N
XLogP2.68
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine (CID 110139260) is N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine is Cc1cccc(N2CCC3(CC(N(C)c4ccncn4)C3)C2)n1.
What is the InChIKey of N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
The InChIKey is VULRXZVHMXDQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14-4-3-5-17(21-14)23-9-7-18(12-23)10-15(11-18)22(2)16-6-8-19-13-20-16/h3-6,8,13,15H,7,9-12H2,1-2H3.
What are the key properties of N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 110139260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).