4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one

C15H22N6O5 — CID 163821280

About 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one

4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one (PubChem CID 163821280) has the molecular formula C15H22N6O5 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one
• PubChem CID: 163821280
• Molecular Formula: C15H22N6O5
• Molecular Weight: 366.38 g/mol
• Exact Mass: 366.17
• IUPAC Name: 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one
• SMILES: CC(C)n1cc(Cc2cn([C@@H]3O[C@H](CO)C(O)C3O)c(=O)nc2N)nn1
• InChI: InChI=1S/C15H22N6O5/c1-7(2)21-5-9(18-19-21)3-8-4-20(15(25)17-13(8)16)14-12(24)11(23)10(6-22)26-14/h4-5,7,10-12,14,22-24H,3,6H2,1-2H3,(H2,16,17,25)/t10-,11?,12?,14-/m1/s1
• InChIKey: NVPVPJZDEILAIT-MLCFOIATSA-N
• XLogP: -1.80
• TPSA: 161.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.38
LogP ≤ 5	-1.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one (CID 163821280) is 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one is CC(C)n1cc(Cc2cn([C@@H]3O[C@H](CO)C(O)C3O)c(=O)nc2N)nn1.

What is the InChIKey of 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one?

The InChIKey is NVPVPJZDEILAIT-MLCFOIATSA-N. The full InChI is InChI=1S/C15H22N6O5/c1-7(2)21-5-9(18-19-21)3-8-4-20(15(25)17-13(8)16)14-12(24)11(23)10(6-22)26-14/h4-5,7,10-12,14,22-24H,3,6H2,1-2H3,(H2,16,17,25)/t10-,11?,12?,14-/m1/s1.

What are the key properties of 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one?

4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one has a molecular weight of 366.38 g/mol, XLogP of -1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(1-propan-2-yltriazol-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 163821280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).