4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C14H17FN4 — CID 80852017

IUPAC4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C14H17FN4/c1-9-7-12(15)4-3-11(9)5-6-17-14-8-13(16)18-10(2)19-14/h3-4,7-8H,5-6H2,1-2H3,(H3,16,17,18,19)
InChIKeyZVTXWEXDRZXJHG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.47
Rot. Bonds4

About 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80852017) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID80852017
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C14H17FN4/c1-9-7-12(15)4-3-11(9)5-6-17-14-8-13(16)18-10(2)19-14/h3-4,7-8H,5-6H2,1-2H3,(H3,16,17,18,19)
InChIKeyZVTXWEXDRZXJHG-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80926608
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852616
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80944222
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80852310
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
3,5-dichloro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762299
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
CID 11043367
4-N-[2-(4-fluorophenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80785928
3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 104507040

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 80852017) is 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(NCCc2ccc(F)cc2C)n1.
What is the InChIKey of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is ZVTXWEXDRZXJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-9-7-12(15)4-3-11(9)5-6-17-14-8-13(16)18-10(2)19-14/h3-4,7-8H,5-6H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80852017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).