4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one

C5H7N3O2 — CID 45080379

IUPAC4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
SMILESNc1cc(CO)[nH]c(=O)n1
InChIInChI=1S/C5H7N3O2/c6-4-1-3(2-9)7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)
InChIKeyGTHNAVHCXGMVGU-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.16
Rot. Bonds1

About 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one

4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one (PubChem CID 45080379) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
PubChem CID45080379
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
SMILESNc1cc(CO)[nH]c(=O)n1
InChIInChI=1S/C5H7N3O2/c6-4-1-3(2-9)7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)
InChIKeyGTHNAVHCXGMVGU-UHFFFAOYSA-N
XLogP-1.16
TPSA92.00 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 ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one (CID 45080379) is 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one is Nc1cc(CO)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one?
The InChIKey is GTHNAVHCXGMVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-4-1-3(2-9)7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10).
What are the key properties of 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one?
4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one has a molecular weight of 141.13 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 45080379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).