1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one

C5H8N4O2 — CID 147773949

IUPAC1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(N)cc1CO
InChIInChI=1S/C5H8N4O2/c6-4-3(2-10)1-9(7)5(11)8-4/h1,10H,2,7H2,(H2,6,8,11)
InChIKeyHGLYBCVKYDOGGN-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.97
Rot. Bonds1

About 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one

1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one (PubChem CID 147773949) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one
PubChem CID147773949
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(N)cc1CO
InChIInChI=1S/C5H8N4O2/c6-4-3(2-10)1-9(7)5(11)8-4/h1,10H,2,7H2,(H2,6,8,11)
InChIKeyHGLYBCVKYDOGGN-UHFFFAOYSA-N
XLogP-1.97
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one?
The IUPAC name of 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one (CID 147773949) is 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one.
What is the SMILES notation for 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one?
The canonical SMILES for 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one is Nc1nc(=O)n(N)cc1CO.
What is the InChIKey of 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one?
The InChIKey is HGLYBCVKYDOGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-4-3(2-10)1-9(7)5(11)8-4/h1,10H,2,7H2,(H2,6,8,11).
What are the key properties of 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one?
1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one has a molecular weight of 156.14 g/mol, XLogP of -1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-5-(hydroxymethyl)pyrimidin-2-one is sourced from PubChem (CID 147773949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).