3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C19H30N2O7 — CID 73355925

About 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 73355925) has the molecular formula C19H30N2O7 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 73355925
• Molecular Formula: C19H30N2O7
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.21
• IUPAC Name: 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(CCCC2CC2CC(O)CO)c1=O
• InChI: InChI=1S/C19H30N2O7/c1-11-8-21(17-7-15(25)16(10-23)28-17)19(27)20(18(11)26)4-2-3-12-5-13(12)6-14(24)9-22/h8,12-17,22-25H,2-7,9-10H2,1H3/t12?,13?,14?,15-,16+,17+/m0/s1
• InChIKey: NPIBGPPUEYDPJU-PRLLQAMRSA-N
• XLogP: -0.88
• TPSA: 134.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	-0.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 73355925) is 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(CCCC2CC2CC(O)CO)c1=O.

What is the InChIKey of 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is NPIBGPPUEYDPJU-PRLLQAMRSA-N. The full InChI is InChI=1S/C19H30N2O7/c1-11-8-21(17-7-15(25)16(10-23)28-17)19(27)20(18(11)26)4-2-3-12-5-13(12)6-14(24)9-22/h8,12-17,22-25H,2-7,9-10H2,1H3/t12?,13?,14?,15-,16+,17+/m0/s1.

What are the key properties of 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 398.46 g/mol, XLogP of -0.88, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-(2,3-dihydroxypropyl)cyclopropyl]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 73355925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).