6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one

C9H15N3O4 — CID 3011777

IUPAC6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
SMILESNC1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1
InChIInChI=1S/C9H15N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-8,13-14H,3-4,10H2,(H,11,15)/t5-,6+,7?,8+/m0/s1
InChIKeyYEKVLBJYNZKBMV-CZLDRYSHSA-N
MW229.24 g/mol
LogP-1.72
Rot. Bonds2

About 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one

6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one (PubChem CID 3011777) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
PubChem CID3011777
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
SMILESNC1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1
InChIInChI=1S/C9H15N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-8,13-14H,3-4,10H2,(H,11,15)/t5-,6+,7?,8+/m0/s1
InChIKeyYEKVLBJYNZKBMV-CZLDRYSHSA-N
XLogP-1.72
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one (CID 3011777) is 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one is NC1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1.
What is the InChIKey of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The InChIKey is YEKVLBJYNZKBMV-CZLDRYSHSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-8,13-14H,3-4,10H2,(H,11,15)/t5-,6+,7?,8+/m0/s1.
What are the key properties of 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one has a molecular weight of 229.24 g/mol, XLogP of -1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 3011777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).