2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one

C₈H₁₃N₃O₃ — CID 170584823

About 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one

2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one (PubChem CID 170584823) has the molecular formula C₈H₁₃N₃O₃ and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one
• PubChem CID: 170584823
• Molecular Formula: C₈H₁₃N₃O₃
• Molecular Weight: 199.21 g/mol
• Exact Mass: 199.10
• IUPAC Name: 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one
• SMILES: COC(CO)Cn1ccc(=O)nc1N
• InChI: InChI=1S/C8H13N3O3/c1-14-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13)
• InChIKey: PNHNBTCSWKPOSQ-UHFFFAOYSA-N
• XLogP: -1.17
• TPSA: 90.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.21
LogP ≤ 5	-1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one?

The IUPAC name of 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one (CID 170584823) is 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one.

What is the SMILES notation for 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one?

The canonical SMILES for 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one is COC(CO)Cn1ccc(=O)nc1N.

What is the InChIKey of 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one?

The InChIKey is PNHNBTCSWKPOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13).

What are the key properties of 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one?

2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one has a molecular weight of 199.21 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 170584823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170584823 — identifiers, structure, computed properties (public domain)

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