2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione

C14H13FN2S — CID 106519261

IUPAC2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
SMILESCc1cc(F)cc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C14H13FN2S/c1-8-4-10(6-11(15)5-8)12-7-13(18)17-14(16-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18)
InChIKeyHIDYXDNFBCSIDA-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.13
Rot. Bonds2

About 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106519261) has the molecular formula C14H13FN2S and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
PubChem CID106519261
Molecular FormulaC14H13FN2S
Molecular Weight260.34 g/mol
Exact Mass260.08
IUPAC Name2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
SMILESCc1cc(F)cc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C14H13FN2S/c1-8-4-10(6-11(15)5-8)12-7-13(18)17-14(16-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18)
InChIKeyHIDYXDNFBCSIDA-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-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-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106515800
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-(4-methylcyclohexyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474873
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518933
2-cycloheptyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716429
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
CID 106475707
6-(3,5-difluorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514135
5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole
CID 113395924
2-(3-fluoro-5-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475058

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione (CID 106519261) is 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione is Cc1cc(F)cc(-c2cc(=S)nc(C3CC3)[nH]2)c1.
What is the InChIKey of 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is HIDYXDNFBCSIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2S/c1-8-4-10(6-11(15)5-8)12-7-13(18)17-14(16-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 260.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106519261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).