6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one

C5H7N3O2 — CID 87601665

IUPAC6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one
SMILESCN(O)c1ccnc(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-8(10)4-2-3-6-5(9)7-4/h2-3,10H,1H3,(H,6,7,9)
InChIKeyAEMGCVBGNIZHJQ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.40
Rot. Bonds1

About 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one

6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one (PubChem CID 87601665) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one
PubChem CID87601665
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one
SMILESCN(O)c1ccnc(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-8(10)4-2-3-6-5(9)7-4/h2-3,10H,1H3,(H,6,7,9)
InChIKeyAEMGCVBGNIZHJQ-UHFFFAOYSA-N
XLogP-0.40
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one (CID 87601665) is 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one is CN(O)c1ccnc(=O)[nH]1.
What is the InChIKey of 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one?
The InChIKey is AEMGCVBGNIZHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8(10)4-2-3-6-5(9)7-4/h2-3,10H,1H3,(H,6,7,9).
What are the key properties of 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one?
6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one has a molecular weight of 141.13 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one is sourced from PubChem (CID 87601665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).