2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol

C6H5Cl2F2N3O — CID 163247126

IUPAC2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol
SMILESNc1nc(Cl)c(C(F)(F)CO)c(Cl)n1
InChIInChI=1S/C6H5Cl2F2N3O/c7-3-2(6(9,10)1-14)4(8)13-5(11)12-3/h14H,1H2,(H2,11,12,13)
InChIKeyUTLQHLPMOZZMSL-UHFFFAOYSA-N
MW244.03 g/mol
LogP1.45
Rot. Bonds2

About 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol

2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol (PubChem CID 163247126) has the molecular formula C6H5Cl2F2N3O and a molecular weight of 244.03 g/mol. Its IUPAC name is 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol
PubChem CID163247126
Molecular FormulaC6H5Cl2F2N3O
Molecular Weight244.03 g/mol
Exact Mass242.98
IUPAC Name2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol
SMILESNc1nc(Cl)c(C(F)(F)CO)c(Cl)n1
InChIInChI=1S/C6H5Cl2F2N3O/c7-3-2(6(9,10)1-14)4(8)13-5(11)12-3/h14H,1H2,(H2,11,12,13)
InChIKeyUTLQHLPMOZZMSL-UHFFFAOYSA-N
XLogP1.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol 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-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol (CID 163247126) is 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol is Nc1nc(Cl)c(C(F)(F)CO)c(Cl)n1.
What is the InChIKey of 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol?
The InChIKey is UTLQHLPMOZZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2F2N3O/c7-3-2(6(9,10)1-14)4(8)13-5(11)12-3/h14H,1H2,(H2,11,12,13).
What are the key properties of 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol?
2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol has a molecular weight of 244.03 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dichloropyrimidin-5-yl)-2,2-difluoroethanol is sourced from PubChem (CID 163247126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).