1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

C17H23N5O3 — CID 97282923

About 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 97282923) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
• PubChem CID: 97282923
• Molecular Formula: C17H23N5O3
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.18
• IUPAC Name: 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
• SMILES: CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1
• InChI: InChI=1S/C17H23N5O3/c1-11(2)22-8-6-18-14(22)12-5-4-7-21(9-12)16(24)13-10-20(3)17(25)19-15(13)23/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,19,23,25)/t12-/m0/s1
• InChIKey: LHYCCYHTILEBAW-LBPRGKRZSA-N
• XLogP: 0.87
• TPSA: 92.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

The IUPAC name of 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (CID 97282923) is 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1.

What is the InChIKey of 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

The InChIKey is LHYCCYHTILEBAW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)22-8-6-18-14(22)12-5-4-7-21(9-12)16(24)13-10-20(3)17(25)19-15(13)23/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,19,23,25)/t12-/m0/s1.

What are the key properties of 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?

1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 97282923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).