5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine

C13H12Cl2F2N4O — CID 175251154

IUPAC5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
SMILESCC(COc1ncccc1Cl)Nc1ncnc(C(F)F)c1Cl
InChIInChI=1S/C13H12Cl2F2N4O/c1-7(5-22-13-8(14)3-2-4-18-13)21-12-9(15)10(11(16)17)19-6-20-12/h2-4,6-7,11H,5H2,1H3,(H,19,20,21)
InChIKeyVUEXERRRPQMPQC-UHFFFAOYSA-N
MW349.17 g/mol
LogP4.00
Rot. Bonds6

About 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine

5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine (PubChem CID 175251154) has the molecular formula C13H12Cl2F2N4O and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
PubChem CID175251154
Molecular FormulaC13H12Cl2F2N4O
Molecular Weight349.17 g/mol
Exact Mass348.04
IUPAC Name5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine
SMILESCC(COc1ncccc1Cl)Nc1ncnc(C(F)F)c1Cl
InChIInChI=1S/C13H12Cl2F2N4O/c1-7(5-22-13-8(14)3-2-4-18-13)21-12-9(15)10(11(16)17)19-6-20-12/h2-4,6-7,11H,5H2,1H3,(H,19,20,21)
InChIKeyVUEXERRRPQMPQC-UHFFFAOYSA-N
XLogP4.00
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine (CID 175251154) is 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine is CC(COc1ncccc1Cl)Nc1ncnc(C(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
The InChIKey is VUEXERRRPQMPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F2N4O/c1-7(5-22-13-8(14)3-2-4-18-13)21-12-9(15)10(11(16)17)19-6-20-12/h2-4,6-7,11H,5H2,1H3,(H,19,20,21).
What are the key properties of 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine?
5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine has a molecular weight of 349.17 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(3-chloro-2-pyridinyl)oxy]propan-2-yl]-6-(difluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 175251154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).