4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine

C12H13FN4 — CID 80814540

IUPAC4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(F)cccc1Nc1ncnc(N)c1C
InChIInChI=1S/C12H13FN4/c1-7-9(13)4-3-5-10(7)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyHIYMVOBYJRGAIL-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.56
Rot. Bonds2

About 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine

4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80814540) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80814540
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(F)cccc1Nc1ncnc(N)c1C
InChIInChI=1S/C12H13FN4/c1-7-9(13)4-3-5-10(7)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyHIYMVOBYJRGAIL-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80754871
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 114250669
4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
CID 80760482
5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
CID 103468059
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
4-N-(2-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761030
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
CID 106876933
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80814540) is 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine is Cc1c(F)cccc1Nc1ncnc(N)c1C.
What is the InChIKey of 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is HIYMVOBYJRGAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-9(13)4-3-5-10(7)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80814540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).