2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine

C6H5Cl2F2N3 — CID 46854988

IUPAC2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine
SMILESFC(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H5Cl2F2N3/c7-3-1-12-6(8)13-5(3)11-2-4(9)10/h1,4H,2H2,(H,11,12,13)
InChIKeyQZNCMWBMHBYGGP-UHFFFAOYSA-N
MW228.03 g/mol
LogP2.46
Rot. Bonds3

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

2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine (PubChem CID 46854988) has the molecular formula C6H5Cl2F2N3 and a molecular weight of 228.03 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine
PubChem CID46854988
Molecular FormulaC6H5Cl2F2N3
Molecular Weight228.03 g/mol
Exact Mass226.98
IUPAC Name2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine
SMILESFC(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H5Cl2F2N3/c7-3-1-12-6(8)13-5(3)11-2-4(9)10/h1,4H,2H2,(H,11,12,13)
InChIKeyQZNCMWBMHBYGGP-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 52.46
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-(2,2-difluoroethyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine (CID 46854988) is 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine is FC(F)CNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine?
The InChIKey is QZNCMWBMHBYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2F2N3/c7-3-1-12-6(8)13-5(3)11-2-4(9)10/h1,4H,2H2,(H,11,12,13).
What are the key properties of 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine?
2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine has a molecular weight of 228.03 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,2-difluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 46854988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).