5,6-difluoro-N-methylpyrimidin-4-amine

C5H5F2N3 — CID 54285406

IUPAC5,6-difluoro-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(F)c1F
InChIInChI=1S/C5H5F2N3/c1-8-5-3(6)4(7)9-2-10-5/h2H,1H3,(H,8,9,10)
InChIKeyWBBCSHSKFWMYIP-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.80
Rot. Bonds1

About 5,6-difluoro-N-methylpyrimidin-4-amine

5,6-difluoro-N-methylpyrimidin-4-amine (PubChem CID 54285406) has the molecular formula C5H5F2N3 and a molecular weight of 145.11 g/mol. Its IUPAC name is 5,6-difluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-difluoro-N-methylpyrimidin-4-amine
PubChem CID54285406
Molecular FormulaC5H5F2N3
Molecular Weight145.11 g/mol
Exact Mass145.05
IUPAC Name5,6-difluoro-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(F)c1F
InChIInChI=1S/C5H5F2N3/c1-8-5-3(6)4(7)9-2-10-5/h2H,1H3,(H,8,9,10)
InChIKeyWBBCSHSKFWMYIP-UHFFFAOYSA-N
XLogP0.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 5,6-difluoro-N-methylpyrimidin-4-amine (CID 54285406) is 5,6-difluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5,6-difluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 5,6-difluoro-N-methylpyrimidin-4-amine is CNc1ncnc(F)c1F.
What is the InChIKey of 5,6-difluoro-N-methylpyrimidin-4-amine?
The InChIKey is WBBCSHSKFWMYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3/c1-8-5-3(6)4(7)9-2-10-5/h2H,1H3,(H,8,9,10).
What are the key properties of 5,6-difluoro-N-methylpyrimidin-4-amine?
5,6-difluoro-N-methylpyrimidin-4-amine has a molecular weight of 145.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 54285406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).