6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one

C16H18N4O3 — CID 155977356

IUPAC6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(OC2CN(C(=O)Cn3cnc(C)cc3=O)C2)ccn1
InChIInChI=1S/C16H18N4O3/c1-11-5-13(3-4-17-11)23-14-7-19(8-14)16(22)9-20-10-18-12(2)6-15(20)21/h3-6,10,14H,7-9H2,1-2H3
InChIKeyLDXKWKWMZXMZTF-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.54
Rot. Bonds4

About 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 155977356) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID155977356
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(OC2CN(C(=O)Cn3cnc(C)cc3=O)C2)ccn1
InChIInChI=1S/C16H18N4O3/c1-11-5-13(3-4-17-11)23-14-7-19(8-14)16(22)9-20-10-18-12(2)6-15(20)21/h3-6,10,14H,7-9H2,1-2H3
InChIKeyLDXKWKWMZXMZTF-UHFFFAOYSA-N
XLogP0.54
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one with MolForge

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Related Compounds

2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 155981880
6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
CID 124891828
3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 163358450
N-[(4-chlorophenyl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carboxamide
CID 163353447
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252469
3-[2-[3-(cyclopropylmethylidene)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 139028579
(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone
CID 163353377
4-cyclobutyloxy-2-methylpyridine
CID 70661228
3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one
CID 163586753
6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122332650
6-methyl-3-[2-[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]pyrimidin-4-one
CID 155976871

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 155977356) is 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1cc(OC2CN(C(=O)Cn3cnc(C)cc3=O)C2)ccn1.
What is the InChIKey of 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is LDXKWKWMZXMZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-5-13(3-4-17-11)23-14-7-19(8-14)16(22)9-20-10-18-12(2)6-15(20)21/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 314.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 155977356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).