5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one

C4H7N3O2 — CID 174157127

IUPAC5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one
SMILESNC1=CNC(=O)NC1O
InChIInChI=1S/C4H7N3O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,5H2,(H2,6,7,9)
InChIKeyYVDIKGMWIWIDLG-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.58
Rot. Bonds

About 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one

5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 174157127) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID174157127
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one
SMILESNC1=CNC(=O)NC1O
InChIInChI=1S/C4H7N3O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,5H2,(H2,6,7,9)
InChIKeyYVDIKGMWIWIDLG-UHFFFAOYSA-N
XLogP-1.58
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one (CID 174157127) is 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one is NC1=CNC(=O)NC1O.
What is the InChIKey of 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is YVDIKGMWIWIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,5H2,(H2,6,7,9).
What are the key properties of 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one?
5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 129.12 g/mol, XLogP of -1.58, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 174157127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).