6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one

C9H13N3O3 — CID 122656730

IUPAC6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C9H13N3O3/c10-8-6(3-11-9(14)12-8)7-2-1-5(4-13)15-7/h3,5,7,13H,1-2,4H2,(H3,10,11,12,14)/t5-,7+/m0/s1
InChIKeyNVFLBCQYJSDHCA-CAHLUQPWSA-N
MW211.22 g/mol
LogP-0.44
Rot. Bonds2

About 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one

6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one (PubChem CID 122656730) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one
PubChem CID122656730
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C9H13N3O3/c10-8-6(3-11-9(14)12-8)7-2-1-5(4-13)15-7/h3,5,7,13H,1-2,4H2,(H3,10,11,12,14)/t5-,7+/m0/s1
InChIKeyNVFLBCQYJSDHCA-CAHLUQPWSA-N
XLogP-0.44
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one (CID 122656730) is 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one?
The InChIKey is NVFLBCQYJSDHCA-CAHLUQPWSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-8-6(3-11-9(14)12-8)7-2-1-5(4-13)15-7/h3,5,7,13H,1-2,4H2,(H3,10,11,12,14)/t5-,7+/m0/s1.
What are the key properties of 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one?
6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one has a molecular weight of 211.22 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 122656730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).