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

C12H13FN4 — CID 80762283

IUPAC4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C12H13FN4/c1-8-3-4-9(13)7-10(8)16-11-5-6-15-12(14-2)17-11/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyAUINNVLNUHHONC-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.71
Rot. Bonds3

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

4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80762283) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80762283
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C12H13FN4/c1-8-3-4-9(13)7-10(8)16-11-5-6-15-12(14-2)17-11/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyAUINNVLNUHHONC-UHFFFAOYSA-N
XLogP2.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80762283) is 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2cc(F)ccc2C)n1.
What is the InChIKey of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is AUINNVLNUHHONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-3-4-9(13)7-10(8)16-11-5-6-15-12(14-2)17-11/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80762283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).