4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine

C11H11FN4 — CID 80755229

IUPAC4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(F)c(Nc2cc(N)ncn2)c1
InChIInChI=1S/C11H11FN4/c1-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyXSIZHGBLNPGOEJ-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.25
Rot. Bonds2

About 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine

4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80755229) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80755229
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(F)c(Nc2cc(N)ncn2)c1
InChIInChI=1S/C11H11FN4/c1-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyXSIZHGBLNPGOEJ-UHFFFAOYSA-N
XLogP2.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333
2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 28968597
3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 104539866
4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde
CID 87198767
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
CID 114073968
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine (CID 80755229) is 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine is Cc1ccc(F)c(Nc2cc(N)ncn2)c1.
What is the InChIKey of 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is XSIZHGBLNPGOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine?
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 218.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80755229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).