5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one

C5H7N3O2 — CID 69009422

IUPAC5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1[nH]c(=O)ncc1O
InChIInChI=1S/C5H7N3O2/c1-6-4-3(9)2-7-5(10)8-4/h2,9H,1H3,(H2,6,7,8,10)
InChIKeyNKYAFCJCSNNRTP-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.48
Rot. Bonds1

About 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one

5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one (PubChem CID 69009422) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one
PubChem CID69009422
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1[nH]c(=O)ncc1O
InChIInChI=1S/C5H7N3O2/c1-6-4-3(9)2-7-5(10)8-4/h2,9H,1H3,(H2,6,7,8,10)
InChIKeyNKYAFCJCSNNRTP-UHFFFAOYSA-N
XLogP-0.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one (CID 69009422) is 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one is CNc1[nH]c(=O)ncc1O.
What is the InChIKey of 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is NKYAFCJCSNNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-4-3(9)2-7-5(10)8-4/h2,9H,1H3,(H2,6,7,8,10).
What are the key properties of 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one?
5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one has a molecular weight of 141.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 69009422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).