4-amino-1-(dihydroxymethyl)pyrimidin-2-one

C5H7N3O3 — CID 70662748

IUPAC4-amino-1-(dihydroxymethyl)pyrimidin-2-one
SMILESNc1ccn(C(O)O)c(=O)n1
InChIInChI=1S/C5H7N3O3/c6-3-1-2-8(5(10)11)4(9)7-3/h1-2,5,10-11H,(H2,6,7,9)
InChIKeyLUJKQXCJPRMYJY-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.73
Rot. Bonds1

About 4-amino-1-(dihydroxymethyl)pyrimidin-2-one

4-amino-1-(dihydroxymethyl)pyrimidin-2-one (PubChem CID 70662748) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 4-amino-1-(dihydroxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(dihydroxymethyl)pyrimidin-2-one
PubChem CID70662748
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name4-amino-1-(dihydroxymethyl)pyrimidin-2-one
SMILESNc1ccn(C(O)O)c(=O)n1
InChIInChI=1S/C5H7N3O3/c6-3-1-2-8(5(10)11)4(9)7-3/h1-2,5,10-11H,(H2,6,7,9)
InChIKeyLUJKQXCJPRMYJY-UHFFFAOYSA-N
XLogP-1.73
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(dihydroxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(dihydroxymethyl)pyrimidin-2-one (CID 70662748) is 4-amino-1-(dihydroxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(dihydroxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(dihydroxymethyl)pyrimidin-2-one is Nc1ccn(C(O)O)c(=O)n1.
What is the InChIKey of 4-amino-1-(dihydroxymethyl)pyrimidin-2-one?
The InChIKey is LUJKQXCJPRMYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-3-1-2-8(5(10)11)4(9)7-3/h1-2,5,10-11H,(H2,6,7,9).
What are the key properties of 4-amino-1-(dihydroxymethyl)pyrimidin-2-one?
4-amino-1-(dihydroxymethyl)pyrimidin-2-one has a molecular weight of 157.13 g/mol, XLogP of -1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(dihydroxymethyl)pyrimidin-2-one is sourced from PubChem (CID 70662748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).