5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C13H19FN6 — CID 103012574

IUPAC5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCc2ccnn2C)n1
InChIInChI=1S/C13H19FN6/c1-3-6-16-13-17-9-11(14)12(19-13)15-7-4-10-5-8-18-20(10)2/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyYQVATDIRPPVMJQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.83
Rot. Bonds7

About 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 103012574) has the molecular formula C13H19FN6 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID103012574
Molecular FormulaC13H19FN6
Molecular Weight278.33 g/mol
Exact Mass278.17
IUPAC Name5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCc2ccnn2C)n1
InChIInChI=1S/C13H19FN6/c1-3-6-16-13-17-9-11(14)12(19-13)15-7-4-10-5-8-18-20(10)2/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyYQVATDIRPPVMJQ-UHFFFAOYSA-N
XLogP1.83
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 103012574) is 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCCc2ccnn2C)n1.
What is the InChIKey of 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YQVATDIRPPVMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6/c1-3-6-16-13-17-9-11(14)12(19-13)15-7-4-10-5-8-18-20(10)2/h5,8-9H,3-4,6-7H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 103012574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).