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

C11H10F2N4 — CID 90189587

IUPAC6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)cc2F)nc(N)n1
InChIInChI=1S/C11H10F2N4/c1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyIOLBDAVWOPFGPI-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.05
Rot. Bonds2

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

6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 90189587) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID90189587
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)cc2F)nc(N)n1
InChIInChI=1S/C11H10F2N4/c1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyIOLBDAVWOPFGPI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 90189587) is 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2ccc(F)cc2F)nc(N)n1.
What is the InChIKey of 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is IOLBDAVWOPFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 236.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 90189587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).