2-(4,6-dichloropyrimidin-5-yl)propan-2-ol

C7H8Cl2N2O — CID 131034112

IUPAC2-(4,6-dichloropyrimidin-5-yl)propan-2-ol
SMILESCC(C)(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-7(2,12)4-5(8)10-3-11-6(4)9/h3,12H,1-2H3
InChIKeyLGMDSLUSFTVYIJ-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.01
Rot. Bonds1

About 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol

2-(4,6-dichloropyrimidin-5-yl)propan-2-ol (PubChem CID 131034112) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4,6-dichloropyrimidin-5-yl)propan-2-ol
PubChem CID131034112
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name2-(4,6-dichloropyrimidin-5-yl)propan-2-ol
SMILESCC(C)(O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-7(2,12)4-5(8)10-3-11-6(4)9/h3,12H,1-2H3
InChIKeyLGMDSLUSFTVYIJ-UHFFFAOYSA-N
XLogP2.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,6-dichloropyrimidin-5-yl)propan-2-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 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol?
The IUPAC name of 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol (CID 131034112) is 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol.
What is the SMILES notation for 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol?
The canonical SMILES for 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol is CC(C)(O)c1c(Cl)ncnc1Cl.
What is the InChIKey of 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol?
The InChIKey is LGMDSLUSFTVYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-7(2,12)4-5(8)10-3-11-6(4)9/h3,12H,1-2H3.
What are the key properties of 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol?
2-(4,6-dichloropyrimidin-5-yl)propan-2-ol has a molecular weight of 207.06 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyrimidin-5-yl)propan-2-ol is sourced from PubChem (CID 131034112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).