(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C19H25N5O — CID 97494953

About (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494953) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

• Compound Name: (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
• PubChem CID: 97494953
• Molecular Formula: C19H25N5O
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.21
• IUPAC Name: (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
• SMILES: c1ccc(CN2CCOC[C@@]3(CCCN(c4ncccn4)C3)C2)nc1
• InChI: InChI=1S/C19H25N5O/c1-2-7-20-17(5-1)13-23-11-12-25-16-19(14-23)6-3-10-24(15-19)18-21-8-4-9-22-18/h1-2,4-5,7-9H,3,6,10-16H2/t19-/m0/s1
• InChIKey: YVAOOHIXGZPCFQ-IBGZPJMESA-N
• XLogP: 1.99
• TPSA: 54.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?

The IUPAC name of (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494953) is (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

What is the SMILES notation for (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?

The canonical SMILES for (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is c1ccc(CN2CCOC[C@@]3(CCCN(c4ncccn4)C3)C2)nc1.

What is the InChIKey of (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?

The InChIKey is YVAOOHIXGZPCFQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-7-20-17(5-1)13-23-11-12-25-16-19(14-23)6-3-10-24(15-19)18-21-8-4-9-22-18/h1-2,4-5,7-9H,3,6,10-16H2/t19-/m0/s1.

What are the key properties of (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?

(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 339.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).