1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C17H22N6O4 — CID 100616302

About 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 100616302) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
• PubChem CID: 100616302
• Molecular Formula: C17H22N6O4
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.17
• IUPAC Name: 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
• SMILES: CN(C)c1cncc(O[C@@H]2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)n1
• InChI: InChI=1S/C17H22N6O4/c1-21(2)13-9-18-10-15(19-13)27-12-3-6-23(11-12)16(25)5-8-22-7-4-14(24)20-17(22)26/h4,7,9-10,12H,3,5-6,8,11H2,1-2H3,(H,20,24,26)/t12-/m1/s1
• InChIKey: ZFYMVDKUIYQCOC-GFCCVEGCSA-N
• XLogP: -0.54
• TPSA: 113.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	-0.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 100616302) is 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is CN(C)c1cncc(O[C@@H]2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)n1.

What is the InChIKey of 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?

The InChIKey is ZFYMVDKUIYQCOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-21(2)13-9-18-10-15(19-13)27-12-3-6-23(11-12)16(25)5-8-22-7-4-14(24)20-17(22)26/h4,7,9-10,12H,3,5-6,8,11H2,1-2H3,(H,20,24,26)/t12-/m1/s1.

What are the key properties of 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?

1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 374.40 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 100616302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).