3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C9H12ClF2N3O — CID 106178811

IUPAC3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1nc(Cl)c(C)c(NCC(F)(F)CO)n1
InChIInChI=1S/C9H12ClF2N3O/c1-5-7(10)14-6(2)15-8(5)13-3-9(11,12)4-16/h16H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyOLQFGAHLNVKFKD-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.79
Rot. Bonds4

About 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106178811) has the molecular formula C9H12ClF2N3O and a molecular weight of 251.66 g/mol. Its IUPAC name is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106178811
Molecular FormulaC9H12ClF2N3O
Molecular Weight251.66 g/mol
Exact Mass251.06
IUPAC Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1nc(Cl)c(C)c(NCC(F)(F)CO)n1
InChIInChI=1S/C9H12ClF2N3O/c1-5-7(10)14-6(2)15-8(5)13-3-9(11,12)4-16/h16H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyOLQFGAHLNVKFKD-UHFFFAOYSA-N
XLogP1.79
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol 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 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106178811) is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is Cc1nc(Cl)c(C)c(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is OLQFGAHLNVKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3O/c1-5-7(10)14-6(2)15-8(5)13-3-9(11,12)4-16/h16H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 251.66 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106178811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).