2-chloro-6-(difluoromethyl)pyrimidin-4-amine

C5H4ClF2N3 — CID 105438455

IUPAC2-chloro-6-(difluoromethyl)pyrimidin-4-amine
SMILESNc1cc(C(F)F)nc(Cl)n1
InChIInChI=1S/C5H4ClF2N3/c6-5-10-2(4(7)8)1-3(9)11-5/h1,4H,(H2,9,10,11)
InChIKeyDYSJZECPYKPOGG-UHFFFAOYSA-N
MW179.56 g/mol
LogP1.65
Rot. Bonds1

About 2-chloro-6-(difluoromethyl)pyrimidin-4-amine

2-chloro-6-(difluoromethyl)pyrimidin-4-amine (PubChem CID 105438455) has the molecular formula C5H4ClF2N3 and a molecular weight of 179.56 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)pyrimidin-4-amine
PubChem CID105438455
Molecular FormulaC5H4ClF2N3
Molecular Weight179.56 g/mol
Exact Mass179.01
IUPAC Name2-chloro-6-(difluoromethyl)pyrimidin-4-amine
SMILESNc1cc(C(F)F)nc(Cl)n1
InChIInChI=1S/C5H4ClF2N3/c6-5-10-2(4(7)8)1-3(9)11-5/h1,4H,(H2,9,10,11)
InChIKeyDYSJZECPYKPOGG-UHFFFAOYSA-N
XLogP1.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-(difluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-(difluoromethyl)pyrimidin-4-amine (CID 105438455) is 2-chloro-6-(difluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)pyrimidin-4-amine is Nc1cc(C(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-(difluoromethyl)pyrimidin-4-amine?
The InChIKey is DYSJZECPYKPOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3/c6-5-10-2(4(7)8)1-3(9)11-5/h1,4H,(H2,9,10,11).
What are the key properties of 2-chloro-6-(difluoromethyl)pyrimidin-4-amine?
2-chloro-6-(difluoromethyl)pyrimidin-4-amine has a molecular weight of 179.56 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 105438455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).