4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine

C12H13FN4 — CID 80761015

IUPAC4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4/c1-7-11(14)15-8(2)16-12(7)17-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyPWNJHBOVJADELE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.56
Rot. Bonds2

About 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80761015) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80761015
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4/c1-7-11(14)15-8(2)16-12(7)17-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyPWNJHBOVJADELE-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

N-(4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80927488
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 80759444
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851513
4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 83082156
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006258
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80761015) is 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is PWNJHBOVJADELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-11(14)15-8(2)16-12(7)17-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-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-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).