6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine

C6H9FN4 — CID 676433

IUPAC6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(F)nc(NC)n1
InChIInChI=1S/C6H9FN4/c1-8-5-3-4(7)10-6(9-2)11-5/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyAQILNHQSSMIBAW-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.70
Rot. Bonds2

About 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine

6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 676433) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID676433
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(F)nc(NC)n1
InChIInChI=1S/C6H9FN4/c1-8-5-3-4(7)10-6(9-2)11-5/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyAQILNHQSSMIBAW-UHFFFAOYSA-N
XLogP0.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 676433) is 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1cc(F)nc(NC)n1.
What is the InChIKey of 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is AQILNHQSSMIBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c1-8-5-3-4(7)10-6(9-2)11-5/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 156.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 676433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).