4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

C14H20FN5 — CID 80857514

IUPAC4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(C)c(CC)c2C)n1
InChIInChI=1S/C14H20FN5/c1-5-7-16-14-17-8-12(15)13(18-14)20-10(4)11(6-2)9(3)19-20/h8H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyYNLHYWIERUJJAX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.80
Rot. Bonds5

About 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80857514) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80857514
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(C)c(CC)c2C)n1
InChIInChI=1S/C14H20FN5/c1-5-7-16-14-17-8-12(15)13(18-14)20-10(4)11(6-2)9(3)19-20/h8H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyYNLHYWIERUJJAX-UHFFFAOYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 80857514) is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(-n2nc(C)c(CC)c2C)n1.
What is the InChIKey of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is YNLHYWIERUJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-5-7-16-14-17-8-12(15)13(18-14)20-10(4)11(6-2)9(3)19-20/h8H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 277.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80857514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).