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

C12H15ClFN5 — CID 80856713

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H15ClFN5/c1-4-5-15-12-16-6-9(14)11(17-12)19-8(3)10(13)7(2)18-19/h6H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyLMFGJDFJFWNHOC-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.89
Rot. Bonds4

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80856713) has the molecular formula C12H15ClFN5 and a molecular weight of 283.74 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80856713
Molecular FormulaC12H15ClFN5
Molecular Weight283.74 g/mol
Exact Mass283.10
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C12H15ClFN5/c1-4-5-15-12-16-6-9(14)11(17-12)19-8(3)10(13)7(2)18-19/h6H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyLMFGJDFJFWNHOC-UHFFFAOYSA-N
XLogP2.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 80856713) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is LMFGJDFJFWNHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN5/c1-4-5-15-12-16-6-9(14)11(17-12)19-8(3)10(13)7(2)18-19/h6H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 283.74 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80856713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).