2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione

C15H18N2OS — CID 106482330

IUPAC2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione
SMILESCOC(C)(C)c1nc(=S)c(C)c(-c2ccccc2)[nH]1
InChIInChI=1S/C15H18N2OS/c1-10-12(11-8-6-5-7-9-11)16-14(17-13(10)19)15(2,3)18-4/h5-9H,1-4H3,(H,16,17,19)
InChIKeyKBPUZEDPOYXBNQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.00
Rot. Bonds3

About 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione

2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione (PubChem CID 106482330) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione
PubChem CID106482330
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione
SMILESCOC(C)(C)c1nc(=S)c(C)c(-c2ccccc2)[nH]1
InChIInChI=1S/C15H18N2OS/c1-10-12(11-8-6-5-7-9-11)16-14(17-13(10)19)15(2,3)18-4/h5-9H,1-4H3,(H,16,17,19)
InChIKeyKBPUZEDPOYXBNQ-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 ≤ 500274.39
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-(4-phenylphenyl)-1H-pyrimidine-4-thione
CID 106518680
2-tert-butyl-5-methyl-6-(3-methylphenyl)-1H-pyrimidine-4-thione
CID 106515339
5-methyl-6-phenyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106482319
2-tert-butyl-6-(3-ethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106519370
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106516502
5-bromo-2-(2-methoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106479141
2-tert-butyl-6-(3,5-dichlorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106522652
2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520450
6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
CID 106478164
2-(cyclopentylsulfanylmethyl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione
CID 106482238
2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515530
2,5-dimethyl-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106514661

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione (CID 106482330) is 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione is COC(C)(C)c1nc(=S)c(C)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione?
The InChIKey is KBPUZEDPOYXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-12(11-8-6-5-7-9-11)16-14(17-13(10)19)15(2,3)18-4/h5-9H,1-4H3,(H,16,17,19).
What are the key properties of 2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione?
2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione has a molecular weight of 274.39 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-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106482330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).