2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine

C11H9F2N3 — CID 107514061

IUPAC2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nccc(N)n2)c(F)c1F
InChIInChI=1S/C11H9F2N3/c1-6-2-3-7(10(13)9(6)12)11-15-5-4-8(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyFNDDKFUEXNOJSB-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.31
Rot. Bonds1

About 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine

2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 107514061) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID107514061
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nccc(N)n2)c(F)c1F
InChIInChI=1S/C11H9F2N3/c1-6-2-3-7(10(13)9(6)12)11-15-5-4-8(14)16-11/h2-5H,1H3,(H2,14,15,16)
InChIKeyFNDDKFUEXNOJSB-UHFFFAOYSA-N
XLogP2.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 116795272
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
6-(2,3-difluoro-4-methylphenyl)pyrazin-2-amine
CID 107514573
2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192811
2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 67175888
2-(2-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 107662449
2-(5-fluoro-1,3-dimethylpyrazol-4-yl)pyrimidin-4-amine
CID 167426169
6-(2,3-difluoro-4-methylphenyl)pyridazin-3-amine
CID 107514047
2-(2-methylquinolin-4-yl)pyrimidin-4-amine
CID 79234702
2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
CID 107514530
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 107514579

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine (CID 107514061) is 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2nccc(N)n2)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is FNDDKFUEXNOJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c1-6-2-3-7(10(13)9(6)12)11-15-5-4-8(14)16-11/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine?
2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 221.21 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 107514061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).