N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine

C19H26N6O — CID 131657828

About N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine

N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine (PubChem CID 131657828) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
• PubChem CID: 131657828
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
• SMILES: CN(C)c1cc(N2CC3(C2)OCCC3CCNc2ccccn2)ncn1
• InChI: InChI=1S/C19H26N6O/c1-24(2)17-11-18(23-14-22-17)25-12-19(13-25)15(7-10-26-19)6-9-21-16-5-3-4-8-20-16/h3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,20,21)
• InChIKey: FNWFGUGFHOZXOI-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 66.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?

The IUPAC name of N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine (CID 131657828) is N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine.

What is the SMILES notation for N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?

The canonical SMILES for N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine is CN(C)c1cc(N2CC3(C2)OCCC3CCNc2ccccn2)ncn1.

What is the InChIKey of N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?

The InChIKey is FNWFGUGFHOZXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-24(2)17-11-18(23-14-22-17)25-12-19(13-25)15(7-10-26-19)6-9-21-16-5-3-4-8-20-16/h3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,20,21).

What are the key properties of N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?

N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 131657828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).