5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one

C9H16N4O2 — CID 136979768

IUPAC5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC(C)(C)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-9(2,15)4-13(3)7-6(10)8(14)12-5-11-7/h5,15H,4,10H2,1-3H3,(H,11,12,14)
InChIKeyLUPJFYZPMIYXAC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds3

About 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one

5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136979768) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136979768
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC(C)(C)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-9(2,15)4-13(3)7-6(10)8(14)12-5-11-7/h5,15H,4,10H2,1-3H3,(H,11,12,14)
InChIKeyLUPJFYZPMIYXAC-UHFFFAOYSA-N
XLogP-0.44
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one (CID 136979768) is 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one is CN(CC(C)(C)O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is LUPJFYZPMIYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,15)4-13(3)7-6(10)8(14)12-5-11-7/h5,15H,4,10H2,1-3H3,(H,11,12,14).
What are the key properties of 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxy-2-methylpropyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).