3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione

C18H26N4O4 — CID 97133253

About 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 97133253) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 97133253
• Molecular Formula: C18H26N4O4
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.20
• IUPAC Name: 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione
• SMILES: CC(C)N1CCC[C@]2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O
• InChI: InChI=1S/C18H26N4O4/c1-12(2)22-7-4-5-18(16(22)25)6-8-21(11-18)14(23)9-13-10-19-17(26)20(3)15(13)24/h10,12H,4-9,11H2,1-3H3,(H,19,26)/t18-/m1/s1
• InChIKey: QZKYDACVOZGNQL-GOSISDBHSA-N
• XLogP: -0.13
• TPSA: 95.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	-0.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 97133253) is 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione is CC(C)N1CCC[C@]2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C2)C1=O.

What is the InChIKey of 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione?

The InChIKey is QZKYDACVOZGNQL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(2)22-7-4-5-18(16(22)25)6-8-21(11-18)14(23)9-13-10-19-17(26)20(3)15(13)24/h10,12H,4-9,11H2,1-3H3,(H,19,26)/t18-/m1/s1.

What are the key properties of 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione?

3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97133253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).