5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

C7H6ClF4N3 — CID 106294327

IUPAC5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESFC(F)C(F)(F)CNc1ncncc1Cl
InChIInChI=1S/C7H6ClF4N3/c8-4-1-13-3-15-5(4)14-2-7(11,12)6(9)10/h1,3,6H,2H2,(H,13,14,15)
InChIKeyQYQMIWNTNHMELR-UHFFFAOYSA-N
MW243.59 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (PubChem CID 106294327) has the molecular formula C7H6ClF4N3 and a molecular weight of 243.59 g/mol. Its IUPAC name is 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
PubChem CID106294327
Molecular FormulaC7H6ClF4N3
Molecular Weight243.59 g/mol
Exact Mass243.02
IUPAC Name5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESFC(F)C(F)(F)CNc1ncncc1Cl
InChIInChI=1S/C7H6ClF4N3/c8-4-1-13-3-15-5(4)14-2-7(11,12)6(9)10/h1,3,6H,2H2,(H,13,14,15)
InChIKeyQYQMIWNTNHMELR-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-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

4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine
CID 106289832
3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 106289897
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293428
1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75511398
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
N-(2,2,3,3-tetrafluoropropyl)pyrazin-2-amine
CID 106294292
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296253
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
CID 106293605

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (CID 106294327) is 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is FC(F)C(F)(F)CNc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The InChIKey is QYQMIWNTNHMELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF4N3/c8-4-1-13-3-15-5(4)14-2-7(11,12)6(9)10/h1,3,6H,2H2,(H,13,14,15).
What are the key properties of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine has a molecular weight of 243.59 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 106294327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).