2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol

C13H20F2N4O2 — CID 138019286

IUPAC2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCOc1nc(C)cc(N2CCN(CC(F)(F)CO)CC2)n1
InChIInChI=1S/C13H20F2N4O2/c1-10-7-11(17-12(16-10)21-2)19-5-3-18(4-6-19)8-13(14,15)9-20/h7,20H,3-6,8-9H2,1-2H3
InChIKeySLECOBNHZSQLAF-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.54
Rot. Bonds5

About 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol

2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol (PubChem CID 138019286) has the molecular formula C13H20F2N4O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
PubChem CID138019286
Molecular FormulaC13H20F2N4O2
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCOc1nc(C)cc(N2CCN(CC(F)(F)CO)CC2)n1
InChIInChI=1S/C13H20F2N4O2/c1-10-7-11(17-12(16-10)21-2)19-5-3-18(4-6-19)8-13(14,15)9-20/h7,20H,3-6,8-9H2,1-2H3
InChIKeySLECOBNHZSQLAF-UHFFFAOYSA-N
XLogP0.54
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol (CID 138019286) is 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol is COc1nc(C)cc(N2CCN(CC(F)(F)CO)CC2)n1.
What is the InChIKey of 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is SLECOBNHZSQLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O2/c1-10-7-11(17-12(16-10)21-2)19-5-3-18(4-6-19)8-13(14,15)9-20/h7,20H,3-6,8-9H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 302.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[4-(2-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 138019286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).