1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione

C17H22N4O3 — CID 110146558

About 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione

1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione (PubChem CID 110146558) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
• PubChem CID: 110146558
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
• SMILES: Cc1cccnc1CN1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1
• InChI: InChI=1S/C17H22N4O3/c1-12-4-3-7-18-13(12)10-20-8-5-14(17(2,24)11-20)21-9-6-15(22)19-16(21)23/h3-4,6-7,9,14,24H,5,8,10-11H2,1-2H3,(H,19,22,23)/t14-,17-/m1/s1
• InChIKey: DUYRIGOFYMMZKO-RHSMWYFYSA-N
• XLogP: 0.44
• TPSA: 91.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione (CID 110146558) is 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione is Cc1cccnc1CN1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1.

What is the InChIKey of 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?

The InChIKey is DUYRIGOFYMMZKO-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-4-3-7-18-13(12)10-20-8-5-14(17(2,24)11-20)21-9-6-15(22)19-16(21)23/h3-4,6-7,9,14,24H,5,8,10-11H2,1-2H3,(H,19,22,23)/t14-,17-/m1/s1.

What are the key properties of 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?

1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,4R)-3-hydroxy-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).