5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine

C5H3Cl3FN3 — CID 13026345

IUPAC5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine
SMILESNc1nc(F)nc(C(Cl)Cl)c1Cl
InChIInChI=1S/C5H3Cl3FN3/c6-1-2(3(7)8)11-5(9)12-4(1)10/h3H,(H2,10,11,12)
InChIKeyFCTMEEASGINQIJ-UHFFFAOYSA-N
MW230.46 g/mol
LogP2.33
Rot. Bonds1

About 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine

5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine (PubChem CID 13026345) has the molecular formula C5H3Cl3FN3 and a molecular weight of 230.46 g/mol. Its IUPAC name is 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine
PubChem CID13026345
Molecular FormulaC5H3Cl3FN3
Molecular Weight230.46 g/mol
Exact Mass228.94
IUPAC Name5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine
SMILESNc1nc(F)nc(C(Cl)Cl)c1Cl
InChIInChI=1S/C5H3Cl3FN3/c6-1-2(3(7)8)11-5(9)12-4(1)10/h3H,(H2,10,11,12)
InChIKeyFCTMEEASGINQIJ-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine 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

5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
4-bromo-3-chloro-6-(difluoromethyl)pyridin-2-amine
CID 118995060
2,5-difluoro-6-iodopyrimidin-4-amine
CID 130154478
(4-amino-3,5,6-trichloro-2-pyridinyl)methanediol
CID 169451317
3,6-difluoro-1,2,4-triazin-5-amine
CID 12927215
2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride
CID 86738399
3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
CID 166995843
5-chloro-2,6-difluoropyridine-3,4-diamine
CID 22284051
3-chloro-6-(difluoromethyl)-4-iodopyridin-2-amine
CID 118996077
6-chloro-5-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 71303951
5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
CID 13026342
2-fluoro-7H-purine-6,8-diamine
CID 172846330

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine (CID 13026345) is 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine is Nc1nc(F)nc(C(Cl)Cl)c1Cl.
What is the InChIKey of 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine?
The InChIKey is FCTMEEASGINQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3FN3/c6-1-2(3(7)8)11-5(9)12-4(1)10/h3H,(H2,10,11,12).
What are the key properties of 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine?
5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine has a molecular weight of 230.46 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine is sourced from PubChem (CID 13026345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).