2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine

C10H5Cl2F2N3 — CID 79632373

IUPAC2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)cc(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C10H5Cl2F2N3/c11-8-4-15-10(12)17-9(8)16-7-2-5(13)1-6(14)3-7/h1-4H,(H,15,16,17)
InChIKeyKUGDFYUPRQKJJV-UHFFFAOYSA-N
MW276.07 g/mol
LogP3.81
Rot. Bonds2

About 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine

2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine (PubChem CID 79632373) has the molecular formula C10H5Cl2F2N3 and a molecular weight of 276.07 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
PubChem CID79632373
Molecular FormulaC10H5Cl2F2N3
Molecular Weight276.07 g/mol
Exact Mass274.98
IUPAC Name2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)cc(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C10H5Cl2F2N3/c11-8-4-15-10(12)17-9(8)16-7-2-5(13)1-6(14)3-7/h1-4H,(H,15,16,17)
InChIKeyKUGDFYUPRQKJJV-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine (CID 79632373) is 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine is Fc1cc(F)cc(Nc2nc(Cl)ncc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine?
The InChIKey is KUGDFYUPRQKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F2N3/c11-8-4-15-10(12)17-9(8)16-7-2-5(13)1-6(14)3-7/h1-4H,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine?
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine has a molecular weight of 276.07 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 79632373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).