4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione

C11H10FN3OS — CID 82087611

IUPAC4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2cc(N)nc(=S)[nH]2)cc1F
InChIInChI=1S/C11H10FN3OS/c1-16-9-3-2-6(4-7(9)12)8-5-10(13)15-11(17)14-8/h2-5H,1H3,(H3,13,14,15,17)
InChIKeyRVHFECHEXIAXOX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds2

About 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione

4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione (PubChem CID 82087611) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
PubChem CID82087611
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2cc(N)nc(=S)[nH]2)cc1F
InChIInChI=1S/C11H10FN3OS/c1-16-9-3-2-6(4-7(9)12)8-5-10(13)15-11(17)14-8/h2-5H,1H3,(H3,13,14,15,17)
InChIKeyRVHFECHEXIAXOX-UHFFFAOYSA-N
XLogP2.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-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

6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione
CID 106517322
4-amino-6-(3-bromo-4-methoxyphenyl)-1H-pyrimidin-2-one
CID 82094499
4-amino-6-(3-methylphenyl)-1H-pyrimidine-2-thione
CID 82079026
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
The IUPAC name of 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione (CID 82087611) is 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione is COc1ccc(-c2cc(N)nc(=S)[nH]2)cc1F.
What is the InChIKey of 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
The InChIKey is RVHFECHEXIAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-16-9-3-2-6(4-7(9)12)8-5-10(13)15-11(17)14-8/h2-5H,1H3,(H3,13,14,15,17).
What are the key properties of 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione has a molecular weight of 251.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 82087611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).