4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine

C14H13ClFIN2S — CID 66293770

IUPAC4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(CSc2ccccc2F)nc(Cl)c1I
InChIInChI=1S/C14H13ClFIN2S/c1-2-5-10-13(17)14(15)19-12(18-10)8-20-11-7-4-3-6-9(11)16/h3-4,6-7H,2,5,8H2,1H3
InChIKeyRRSMDZHNYWBZBI-UHFFFAOYSA-N
MW422.69 g/mol
LogP5.12
Rot. Bonds5

About 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine

4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine (PubChem CID 66293770) has the molecular formula C14H13ClFIN2S and a molecular weight of 422.69 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine
PubChem CID66293770
Molecular FormulaC14H13ClFIN2S
Molecular Weight422.69 g/mol
Exact Mass421.95
IUPAC Name4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(CSc2ccccc2F)nc(Cl)c1I
InChIInChI=1S/C14H13ClFIN2S/c1-2-5-10-13(17)14(15)19-12(18-10)8-20-11-7-4-3-6-9(11)16/h3-4,6-7H,2,5,8H2,1H3
InChIKeyRRSMDZHNYWBZBI-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.69
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine 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

4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
CID 66316422
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66052660
2-[(2-fluorophenyl)sulfanylmethyl]-4-propylpyrimidine-5-carboxylic acid
CID 66052139
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302611
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66305099
[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
CID 114245147
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051940
2-[(3-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305382
4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine
CID 66085806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine (CID 66293770) is 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine is CCCc1nc(CSc2ccccc2F)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine?
The InChIKey is RRSMDZHNYWBZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFIN2S/c1-2-5-10-13(17)14(15)19-12(18-10)8-20-11-7-4-3-6-9(11)16/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine?
4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine has a molecular weight of 422.69 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 66293770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).