4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine

C11H10F2N4 — CID 80754871

IUPAC4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1Nc1c(F)cccc1F
InChIInChI=1S/C11H10F2N4/c1-6-10(14)15-5-16-11(6)17-9-7(12)3-2-4-8(9)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyVDOJHKPDWVGPTH-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.39
Rot. Bonds2

About 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine

4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80754871) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80754871
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1Nc1c(F)cccc1F
InChIInChI=1S/C11H10F2N4/c1-6-10(14)15-5-16-11(6)17-9-7(12)3-2-4-8(9)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyVDOJHKPDWVGPTH-UHFFFAOYSA-N
XLogP2.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine (CID 80754871) is 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)ncnc1Nc1c(F)cccc1F.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is VDOJHKPDWVGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-6-10(14)15-5-16-11(6)17-9-7(12)3-2-4-8(9)13/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine?
4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 236.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80754871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).