2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione

C14H15FN2S — CID 106475223

IUPAC2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C14H15FN2S/c1-3-4-11-8-13(18)17-14(16-11)10-5-6-12(15)9(2)7-10/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyXMRPTCCQPOUPHO-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione

2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475223) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475223
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C14H15FN2S/c1-3-4-11-8-13(18)17-14(16-11)10-5-6-12(15)9(2)7-10/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyXMRPTCCQPOUPHO-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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

2-(4-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 94076925
6-ethyl-2-(3-fluoro-4-methylphenyl)-1H-pyrimidine-4-thione
CID 106476226
2-(3-fluoro-5-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475058
2-(3-chlorophenyl)-6-propyl-1H-pyrimidine-4-thione
CID 94076991
2-(4-fluoro-3-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 135985118
2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475077
2-(4-chlorophenyl)-6-ethyl-1H-pyrimidine-4-thione
CID 94077004
6-ethyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 94076931
6-propyl-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidine-4-thione
CID 106475187
5-bromo-2-(3-fluoro-4-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106479415
2-(4-fluoro-3-methylphenyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478763
2-isoquinolin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475233

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475223) is 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(-c2ccc(F)c(C)c2)[nH]1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is XMRPTCCQPOUPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-3-4-11-8-13(18)17-14(16-11)10-5-6-12(15)9(2)7-10/h5-8H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione?
2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 262.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).