5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one

C8H12N4O2 — CID 136979702

IUPAC5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C8H12N4O2/c1-8(14)2-12(3-8)6-5(9)7(13)11-4-10-6/h4,14H,2-3,9H2,1H3,(H,10,11,13)
InChIKeyYMNYTOMRHDTIID-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.08
Rot. Bonds1

About 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136979702) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136979702
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C8H12N4O2/c1-8(14)2-12(3-8)6-5(9)7(13)11-4-10-6/h4,14H,2-3,9H2,1H3,(H,10,11,13)
InChIKeyYMNYTOMRHDTIID-UHFFFAOYSA-N
XLogP-1.08
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869190
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-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976937
5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136979637
5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979668
5-amino-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979694
4-(3-hydroxy-3-methylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136979699
4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979704
5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979712
5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979721

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one (CID 136979702) is 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one is CC1(O)CN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YMNYTOMRHDTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-8(14)2-12(3-8)6-5(9)7(13)11-4-10-6/h4,14H,2-3,9H2,1H3,(H,10,11,13).
What are the key properties of 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136979702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).