1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C18H26N4O3 — CID 124964311

About 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 124964311) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• PubChem CID: 124964311
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
• SMILES: CC(=O)N1CC2(CCN(C(=O)c3cnc(C)nc3)CC2)C[C@]1(C)CO
• InChI: InChI=1S/C18H26N4O3/c1-13-19-8-15(9-20-13)16(25)21-6-4-18(5-7-21)10-17(3,12-23)22(11-18)14(2)24/h8-9,23H,4-7,10-12H2,1-3H3/t17-/m1/s1
• InChIKey: HWQODZWYMRQIKW-QGZVFWFLSA-N
• XLogP: 1.01
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The IUPAC name of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 124964311) is 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

What is the SMILES notation for 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The canonical SMILES for 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CC2(CCN(C(=O)c3cnc(C)nc3)CC2)C[C@]1(C)CO.

What is the InChIKey of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

The InChIKey is HWQODZWYMRQIKW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-19-8-15(9-20-13)16(25)21-6-4-18(5-7-21)10-17(3,12-23)22(11-18)14(2)24/h8-9,23H,4-7,10-12H2,1-3H3/t17-/m1/s1.

What are the key properties of 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?

1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 124964311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).