2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

C19H23N3O3S — CID 136711850

IUPAC2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CC(Oc3c(C)cccc3C)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-11-6-5-7-12(2)17(11)25-15-9-22(10-15)18(24)14(4)26-19-20-13(3)8-16(23)21-19/h5-8,14-15H,9-10H2,1-4H3,(H,20,21,23)/t14-/m1/s1
InChIKeyYITBMVIPLINXIT-CQSZACIVSA-N
MW373.48 g/mol
LogP2.47
Rot. Bonds5

About 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136711850) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136711850
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CC(Oc3c(C)cccc3C)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-11-6-5-7-12(2)17(11)25-15-9-22(10-15)18(24)14(4)26-19-20-13(3)8-16(23)21-19/h5-8,14-15H,9-10H2,1-4H3,(H,20,21,23)/t14-/m1/s1
InChIKeyYITBMVIPLINXIT-CQSZACIVSA-N
XLogP2.47
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136738172
2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135585314
4-methyl-2-[(2S)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 137124825
(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 97201847
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 136685856
3-ethyl-8-[(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 136738174
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
CID 137098613
(2R)-N-(3-chlorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135853449
(2R)-N-(2,6-dimethylphenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9147422

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136711850) is 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CC(Oc3c(C)cccc3C)C2)n1.
What is the InChIKey of 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YITBMVIPLINXIT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-11-6-5-7-12(2)17(11)25-15-9-22(10-15)18(24)14(4)26-19-20-13(3)8-16(23)21-19/h5-8,14-15H,9-10H2,1-4H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 373.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136711850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).