2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione

C14H15FN2S — CID 106475708

IUPAC2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C(C)(C)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H15FN2S/c1-9-8-12(18)17-13(16-9)14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyXRSILCAFTKQAPW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.91
Rot. Bonds2

About 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione

2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475708) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475708
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C(C)(C)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C14H15FN2S/c1-9-8-12(18)17-13(16-9)14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyXRSILCAFTKQAPW-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-thione
CID 911732
6-Methyl-2-phenylpyrimidine-4-thiol
CID 848833
2-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-4(6H)-thione
CID 911834
2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-thiol
CID 17598814
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 21833487
2-(2,4-difluorophenyl)-N-(5-methyl-4-methylidene-3H-pyridin-2-yl)ethanethioamide
CID 89324735
2-(4-Fluorophenyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478697
6-(4-fluorophenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106514537
4-[(3,5-difluorophenyl)methyl]-5-ethyl-2-methyl-6-methylidene-1H-pyrimidine
CID 139479780
2-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[d]pyrimidine-4-thione
CID 139665120
2-(3-fluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172147
2-(2-fluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione (CID 106475708) is 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C(C)(C)c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is XRSILCAFTKQAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-8-12(18)17-13(16-9)14(2,3)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione?
2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 262.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)propan-2-yl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).