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

C14H15FN2S — CID 106475482

IUPAC2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(Cc2ccccc2F)[nH]1
InChIInChI=1S/C14H15FN2S/c1-9(2)12-8-14(18)17-13(16-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyFLAWDMWRZCZIHC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.99
Rot. Bonds3

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

2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475482) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475482
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(Cc2ccccc2F)[nH]1
InChIInChI=1S/C14H15FN2S/c1-9(2)12-8-14(18)17-13(16-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyFLAWDMWRZCZIHC-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2-phenylpyrimidine-4-thiol
CID 848833
AC1Nta8W
CID 5376550
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
N'-[5-[1-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridin-4-yl]-2-methylbutanimidamide
CID 89378819
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
N-[2-(2,4-dimethyl-1,4-dihydropyrimidin-6-yl)ethyl]-3-(3-fluorophenyl)propan-1-amine
CID 118656314
6-(4-Fluoro-3-methylphenyl)-2-methyl-1,4-dihydropyrimidine
CID 123786161
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475482) is 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(Cc2ccccc2F)[nH]1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is FLAWDMWRZCZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9(2)12-8-14(18)17-13(16-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 262.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).