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

C12H13FN4 — CID 80851369

IUPAC4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cc(F)cc(Nc2nc(N)ncc2C)c1
InChIInChI=1S/C12H13FN4/c1-7-3-9(13)5-10(4-7)16-11-8(2)6-15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyBMWRKAFPPWKCBF-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.56
Rot. Bonds2

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

4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80851369) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80851369
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cc(F)cc(Nc2nc(N)ncc2C)c1
InChIInChI=1S/C12H13FN4/c1-7-3-9(13)5-10(4-7)16-11-8(2)6-15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyBMWRKAFPPWKCBF-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-(3-fluoro-5-methoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 114262867
N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412715
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
2-N-(3-fluoro-5-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266561
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 80768905
4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
CID 114262803
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
2-N-(3,5-difluorophenyl)-5-methylpyridine-2,3-diamine
CID 66280391
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 80769404

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine (CID 80851369) is 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine is Cc1cc(F)cc(Nc2nc(N)ncc2C)c1.
What is the InChIKey of 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is BMWRKAFPPWKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-3-9(13)5-10(4-7)16-11-8(2)6-15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine?
4-N-(3-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-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-5-methylphenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80851369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).