2,5-diamino-4-hydroxy-1H-pyrimidin-6-one

C4H6N4O2 — CID 2733981

IUPAC2,5-diamino-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)
InChIKeyHWSJQFCTYLBBOF-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.36
Rot. Bonds

About 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one

2,5-diamino-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 2733981) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one
PubChem CID2733981
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name2,5-diamino-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)
InChIKeyHWSJQFCTYLBBOF-UHFFFAOYSA-N
XLogP-1.36
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one (CID 2733981) is 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one is Nc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HWSJQFCTYLBBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10).
What are the key properties of 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one?
2,5-diamino-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 142.12 g/mol, XLogP of -1.36, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 2733981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).