5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione

C14H15BrN2O2S — CID 106480653

IUPAC5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione
SMILESCOCc1[nH]c(Cc2ccccc2OC)nc(=S)c1Br
InChIInChI=1S/C14H15BrN2O2S/c1-18-8-10-13(15)14(20)17-12(16-10)7-9-5-3-4-6-11(9)19-2/h3-6H,7-8H2,1-2H3,(H,16,17,20)
InChIKeyKUZPXWNDIZISQK-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.65
Rot. Bonds5

About 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione

5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione (PubChem CID 106480653) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione
PubChem CID106480653
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione
SMILESCOCc1[nH]c(Cc2ccccc2OC)nc(=S)c1Br
InChIInChI=1S/C14H15BrN2O2S/c1-18-8-10-13(15)14(20)17-12(16-10)7-9-5-3-4-6-11(9)19-2/h3-6H,7-8H2,1-2H3,(H,16,17,20)
InChIKeyKUZPXWNDIZISQK-UHFFFAOYSA-N
XLogP3.65
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480618
5-bromo-2-ethyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480655
5-bromo-2-[(2-fluorophenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479423
2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475189
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
5-bromo-2-(methoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106479467
4-[(2-methoxyphenyl)methyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 4269053
2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494244
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
5-bromo-2-(2,6-dimethyl-4-pyridinyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 107505170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione (CID 106480653) is 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione is COCc1[nH]c(Cc2ccccc2OC)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione?
The InChIKey is KUZPXWNDIZISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-18-8-10-13(15)14(20)17-12(16-10)7-9-5-3-4-6-11(9)19-2/h3-6H,7-8H2,1-2H3,(H,16,17,20).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione?
5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione has a molecular weight of 355.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).