5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one

C5H8N4O2 — CID 22353046

IUPAC5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c6-1-2-8-4(10)3(7)5(11)9-2/h1,6-7H2,(H2,8,9,10,11)
InChIKeyDMTVIFGSLROIJT-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.48
Rot. Bonds1

About 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one

5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 22353046) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID22353046
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNCc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c6-1-2-8-4(10)3(7)5(11)9-2/h1,6-7H2,(H2,8,9,10,11)
InChIKeyDMTVIFGSLROIJT-UHFFFAOYSA-N
XLogP-1.48
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 22353046) is 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one is NCc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DMTVIFGSLROIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-1-2-8-4(10)3(7)5(11)9-2/h1,6-7H2,(H2,8,9,10,11).
What are the key properties of 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 156.15 g/mol, XLogP of -1.48, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(aminomethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 22353046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).