2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C14H16N2OS — CID 106794205

IUPAC2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOc1cc(C)ccc1-c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C14H16N2OS/c1-8-5-6-11(12(7-8)17-4)13-15-10(3)9(2)14(18)16-13/h5-7H,1-4H3,(H,15,16,18)
InChIKeyNFAAGSWOEGVMAW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.74
Rot. Bonds2

About 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106794205) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106794205
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOc1cc(C)ccc1-c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C14H16N2OS/c1-8-5-6-11(12(7-8)17-4)13-15-10(3)9(2)14(18)16-13/h5-7H,1-4H3,(H,15,16,18)
InChIKeyNFAAGSWOEGVMAW-UHFFFAOYSA-N
XLogP3.74
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.74
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

5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106794207
2-(2-methoxy-4-methylphenyl)-1H-pyrimidine-6-thione
CID 106794204
2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136696949
2-(4-chloro-2-methoxyphenyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106820090
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
CID 136696967
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136696956
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde
CID 82295070
2-(2-bromo-4-methylphenyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 114015543
5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106476691
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
CID 106476615

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106794205) is 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione is COc1cc(C)ccc1-c1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is NFAAGSWOEGVMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-5-6-11(12(7-8)17-4)13-15-10(3)9(2)14(18)16-13/h5-7H,1-4H3,(H,15,16,18).
What are the key properties of 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 260.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106794205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).