6-(4-fluorophenyl)pyrimidine-2,4-diamine

C10H9FN4 — CID 2736757

IUPAC6-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C10H9FN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15)
InChIKeyUJHDGCSPZQBXEB-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.45
Rot. Bonds1

About 6-(4-fluorophenyl)pyrimidine-2,4-diamine

6-(4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 2736757) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 6-(4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID2736757
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name6-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C10H9FN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15)
InChIKeyUJHDGCSPZQBXEB-UHFFFAOYSA-N
XLogP1.45
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenyl)pyrimidine-2,4-diamine (CID 2736757) is 6-(4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenyl)pyrimidine-2,4-diamine is Nc1cc(-c2ccc(F)cc2)nc(N)n1.
What is the InChIKey of 6-(4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is UJHDGCSPZQBXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15).
What are the key properties of 6-(4-fluorophenyl)pyrimidine-2,4-diamine?
6-(4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 204.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 2736757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).