2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine

C9H10F2N6 — CID 167426093

IUPAC2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccnn2CC(F)F)n1
InChIInChI=1S/C9H10F2N6/c10-6(11)5-17-8(2-4-14-17)16-9-13-3-1-7(12)15-9/h1-4,6H,5H2,(H3,12,13,15,16)
InChIKeyWEASLICMAVFEHO-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.26
Rot. Bonds4

About 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine

2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine (PubChem CID 167426093) has the molecular formula C9H10F2N6 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine
PubChem CID167426093
Molecular FormulaC9H10F2N6
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccnn2CC(F)F)n1
InChIInChI=1S/C9H10F2N6/c10-6(11)5-17-8(2-4-14-17)16-9-13-3-1-7(12)15-9/h1-4,6H,5H2,(H3,12,13,15,16)
InChIKeyWEASLICMAVFEHO-UHFFFAOYSA-N
XLogP1.26
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine 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-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine (CID 167426093) is 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine is Nc1ccnc(Nc2ccnn2CC(F)F)n1.
What is the InChIKey of 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is WEASLICMAVFEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N6/c10-6(11)5-17-8(2-4-14-17)16-9-13-3-1-7(12)15-9/h1-4,6H,5H2,(H3,12,13,15,16).
What are the key properties of 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 240.22 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 167426093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).