2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one

C10H16N4O — CID 84676226

IUPAC2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1cc(=O)n(C)c(C2CNC2)n1
InChIInChI=1S/C10H16N4O/c1-13(2)8-4-9(15)14(3)10(12-8)7-5-11-6-7/h4,7,11H,5-6H2,1-3H3
InChIKeyBAIJOCYOBTXRCT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.47
Rot. Bonds2

About 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one

2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one (PubChem CID 84676226) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one
PubChem CID84676226
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1cc(=O)n(C)c(C2CNC2)n1
InChIInChI=1S/C10H16N4O/c1-13(2)8-4-9(15)14(3)10(12-8)7-5-11-6-7/h4,7,11H,5-6H2,1-3H3
InChIKeyBAIJOCYOBTXRCT-UHFFFAOYSA-N
XLogP-0.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-2,2-dimethylpropanamide
CID 136664803
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135797587
2-(Azetidin-3-yl)-3,4-dihydropyrimidin-4-one
CID 84649498
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
2-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
3-[(Azetidin-3-yl)methyl]-2,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126857732
6-Amino-2-(1-aminopropan-2-yl)pyrimidin-4-ol
CID 136077753
4-(ethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136294348
4-(methylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136294350
2-propan-2-yl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294351
2-(azetidin-3-yl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314485

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one (CID 84676226) is 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one is CN(C)c1cc(=O)n(C)c(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The InChIKey is BAIJOCYOBTXRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13(2)8-4-9(15)14(3)10(12-8)7-5-11-6-7/h4,7,11H,5-6H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 84676226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).