6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C16H19N3O4S — CID 49153731

IUPAC6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(CSCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C16H19N3O4S/c1-18-14(17)13(15(21)19(2)16(18)22)12(20)9-24-8-10-5-4-6-11(7-10)23-3/h4-7H,8-9,17H2,1-3H3
InChIKeyAXVFJCRPOMEQPJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.79
Rot. Bonds6

About 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 49153731) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID49153731
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(CSCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C16H19N3O4S/c1-18-14(17)13(15(21)19(2)16(18)22)12(20)9-24-8-10-5-4-6-11(7-10)23-3/h4-7H,8-9,17H2,1-3H3
InChIKeyAXVFJCRPOMEQPJ-UHFFFAOYSA-N
XLogP0.79
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 6086511
[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 40898363
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 2469228
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2410558
6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27249624
6-amino-1-benzyl-5-(2-benzylsulfanylacetyl)-3-ethylpyrimidine-2,4-dione
CID 8549023
6-amino-5-[2-(2-methoxy-N-methylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47057162
6-amino-5-[2-(3,5-dimethylphenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42887461
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 35989456
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-iodobenzoate
CID 2476680
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 3922487
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 49153731) is 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is COc1cccc(CSCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AXVFJCRPOMEQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-18-14(17)13(15(21)19(2)16(18)22)12(20)9-24-8-10-5-4-6-11(7-10)23-3/h4-7H,8-9,17H2,1-3H3.
What are the key properties of 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 349.41 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(3-methoxyphenyl)methylsulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 49153731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).