5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride

C18H31Cl2N5O2 — CID 154904060

About 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride

5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride (PubChem CID 154904060) has the molecular formula C18H31Cl2N5O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride.

Molecular Properties

• Compound Name: 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride
• PubChem CID: 154904060
• Molecular Formula: C18H31Cl2N5O2
• Molecular Weight: 420.39 g/mol
• Exact Mass: 419.19
• IUPAC Name: 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride
• SMILES: Cl.Cl.c1nc(NCC2CCCO2)ncc1CN1CCC2(CC1)CNCCO2
• InChI: InChI=1S/C18H29N5O2.2ClH/c1-2-16(24-8-1)12-22-17-20-10-15(11-21-17)13-23-6-3-18(4-7-23)14-19-5-9-25-18;;/h10-11,16,19H,1-9,12-14H2,(H,20,21,22);2*1H
• InChIKey: NNIINYPOEDWQOT-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 71.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.39
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride?

The IUPAC name of 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride (CID 154904060) is 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride.

What is the SMILES notation for 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride?

The canonical SMILES for 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride is Cl.Cl.c1nc(NCC2CCCO2)ncc1CN1CCC2(CC1)CNCCO2.

What is the InChIKey of 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride?

The InChIKey is NNIINYPOEDWQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.2ClH/c1-2-16(24-8-1)12-22-17-20-10-15(11-21-17)13-23-6-3-18(4-7-23)14-19-5-9-25-18;;/h10-11,16,19H,1-9,12-14H2,(H,20,21,22);2*1H.

What are the key properties of 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride?

5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride has a molecular weight of 420.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 154904060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).