2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H24N4O3 — CID 70786023

About 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70786023) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70786023
• Molecular Formula: C18H24N4O3
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.18
• IUPAC Name: 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CCC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1CC1CC1
• InChI: InChI=1S/C18H24N4O3/c23-15-4-6-18(11-22(15)9-13-2-3-13)5-1-7-21(10-18)17(25)14-8-19-12-20-16(14)24/h8,12-13H,1-7,9-11H2,(H,19,20,24)
• InChIKey: ZCYUSNRMFWSBCH-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70786023) is 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1CC1CC1.

What is the InChIKey of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is ZCYUSNRMFWSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-15-4-6-18(11-22(15)9-13-2-3-13)5-1-7-21(10-18)17(25)14-8-19-12-20-16(14)24/h8,12-13H,1-7,9-11H2,(H,19,20,24).

What are the key properties of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70786023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).