4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine

C11H9F2N3 — CID 63550141

IUPAC4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H9F2N3/c1-14-11-15-6-5-9(16-11)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,16)
InChIKeyTWBKZYVDGFFKSM-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.46
Rot. Bonds2

About 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine

4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine (PubChem CID 63550141) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine
PubChem CID63550141
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H9F2N3/c1-14-11-15-6-5-9(16-11)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,16)
InChIKeyTWBKZYVDGFFKSM-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine (CID 63550141) is 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2c(F)cccc2F)n1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine?
The InChIKey is TWBKZYVDGFFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c1-14-11-15-6-5-9(16-11)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,16).
What are the key properties of 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine?
4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine has a molecular weight of 221.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 63550141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).