2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol

C9H12ClF2N3O — CID 162514057

IUPAC2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
SMILESCc1nc(NC(C)CO)c(Cl)c(C(F)F)n1
InChIInChI=1S/C9H12ClF2N3O/c1-4(3-16)13-9-6(10)7(8(11)12)14-5(2)15-9/h4,8,16H,3H2,1-2H3,(H,13,14,15)
InChIKeyUXOAJKNQDVSBHU-UHFFFAOYSA-N
MW251.66 g/mol
LogP2.17
Rot. Bonds4

About 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol

2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol (PubChem CID 162514057) has the molecular formula C9H12ClF2N3O and a molecular weight of 251.66 g/mol. Its IUPAC name is 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
PubChem CID162514057
Molecular FormulaC9H12ClF2N3O
Molecular Weight251.66 g/mol
Exact Mass251.06
IUPAC Name2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
SMILESCc1nc(NC(C)CO)c(Cl)c(C(F)F)n1
InChIInChI=1S/C9H12ClF2N3O/c1-4(3-16)13-9-6(10)7(8(11)12)14-5(2)15-9/h4,8,16H,3H2,1-2H3,(H,13,14,15)
InChIKeyUXOAJKNQDVSBHU-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-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

Related Compounds

3-((5-Chloro-6-(difluoromethyl)pyrimidin-4-yl)amino)propan-1-ol
CID 171390658
2-[[5-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 67876114
(2S)-1-[[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 162513921
1-[[5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-2-ol
CID 162513929
3-[[5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 162513940
5-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-2,4-diamine
CID 174832872
1-[[5-Chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 175179778
(2R)-2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 175780805
(2R)-1-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-2-ol
CID 175798716
2-[[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 82460849
1-[[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 82460858
3-[[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 82460872

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol (CID 162514057) is 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol is Cc1nc(NC(C)CO)c(Cl)c(C(F)F)n1.
What is the InChIKey of 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is UXOAJKNQDVSBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3O/c1-4(3-16)13-9-6(10)7(8(11)12)14-5(2)15-9/h4,8,16H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol?
2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 251.66 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 162514057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).