5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C19H27N5O3 — CID 72857431

About 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 72857431) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 72857431
• Molecular Formula: C19H27N5O3
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.21
• IUPAC Name: 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
• SMILES: CCCCn1ccnc1C1CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1
• InChI: InChI=1S/C19H27N5O3/c1-3-4-8-23-10-7-20-17(23)14-6-5-9-24(12-14)16(25)11-15-13(2)21-19(27)22-18(15)26/h7,10,14H,3-6,8-9,11-12H2,1-2H3,(H2,21,22,26,27)
• InChIKey: PXXAMETZJDPXLY-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 103.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 72857431) is 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is CCCCn1ccnc1C1CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1.

What is the InChIKey of 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?

The InChIKey is PXXAMETZJDPXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-3-4-8-23-10-7-20-17(23)14-6-5-9-24(12-14)16(25)11-15-13(2)21-19(27)22-18(15)26/h7,10,14H,3-6,8-9,11-12H2,1-2H3,(H2,21,22,26,27).

What are the key properties of 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?

5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 373.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72857431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).