5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136979712

IUPAC5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1(O)CN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-2-9(15)3-13(4-9)7-6(10)8(14)12-5-11-7/h5,15H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyTUUFIFGCIQTYAO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.69
Rot. Bonds2

About 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136979712) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136979712
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1(O)CN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-2-9(15)3-13(4-9)7-6(10)8(14)12-5-11-7/h5,15H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyTUUFIFGCIQTYAO-UHFFFAOYSA-N
XLogP-0.69
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869190
5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870592
5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976061
5-amino-4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136976067
5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136976072
5-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136976235
5-amino-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136977410
5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979694
5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979702
4-(3-ethyl-3-hydroxyazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136979709
5-chloro-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979713

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one (CID 136979712) is 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one is CCC1(O)CN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is TUUFIFGCIQTYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-9(15)3-13(4-9)7-6(10)8(14)12-5-11-7/h5,15H,2-4,10H2,1H3,(H,11,12,14).
What are the key properties of 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136979712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).