2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione

C15H16N2OS — CID 106515306

IUPAC2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCOc1cccc(-c2[nH]c(C3CC3)nc(=S)c2C)c1
InChIInChI=1S/C15H16N2OS/c1-9-13(11-4-3-5-12(8-11)18-2)16-14(10-6-7-10)17-15(9)19/h3-5,8,10H,6-7H2,1-2H3,(H,16,17,19)
InChIKeyVKHZPOPXNHAIJG-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.00
Rot. Bonds3

About 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione

2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106515306) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
PubChem CID106515306
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCOc1cccc(-c2[nH]c(C3CC3)nc(=S)c2C)c1
InChIInChI=1S/C15H16N2OS/c1-9-13(11-4-3-5-12(8-11)18-2)16-14(10-6-7-10)17-15(9)19/h3-5,8,10H,6-7H2,1-2H3,(H,16,17,19)
InChIKeyVKHZPOPXNHAIJG-UHFFFAOYSA-N
XLogP4.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-6-[3-(trifluoromethoxy)phenyl]-1H-pyrimidine-4-thione
CID 106517635
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidine-4-thione
CID 106521963
2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516796
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522451
2-(3-methoxyphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475731
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
6-(3,5-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106519169
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione (CID 106515306) is 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione is COc1cccc(-c2[nH]c(C3CC3)nc(=S)c2C)c1.
What is the InChIKey of 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is VKHZPOPXNHAIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-13(11-4-3-5-12(8-11)18-2)16-14(10-6-7-10)17-15(9)19/h3-5,8,10H,6-7H2,1-2H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 272.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).