11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C20H30N4O3 — CID 155491795

About 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155491795) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

• Compound Name: 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
• PubChem CID: 155491795
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
• SMILES: Cc1nc(CN2CCC3(CC2)CN(CC2CCC2)C(=O)CCO3)cc(=O)[nH]1
• InChI: InChI=1S/C20H30N4O3/c1-15-21-17(11-18(25)22-15)13-23-8-6-20(7-9-23)14-24(12-16-3-2-4-16)19(26)5-10-27-20/h11,16H,2-10,12-14H2,1H3,(H,21,22,25)
• InChIKey: ZDNYBXZPBYLNGW-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?

The IUPAC name of 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155491795) is 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

What is the SMILES notation for 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?

The canonical SMILES for 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is Cc1nc(CN2CCC3(CC2)CN(CC2CCC2)C(=O)CCO3)cc(=O)[nH]1.

What is the InChIKey of 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?

The InChIKey is ZDNYBXZPBYLNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15-21-17(11-18(25)22-15)13-23-8-6-20(7-9-23)14-24(12-16-3-2-4-16)19(26)5-10-27-20/h11,16H,2-10,12-14H2,1H3,(H,21,22,25).

What are the key properties of 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?

11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 374.49 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155491795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).