5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine

C13H18FN5 — CID 80857856

IUPAC5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H18FN5/c1-5-6-15-13-16-7-11(14)12(17-13)19-10(4)8(2)9(3)18-19/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyXVLHNCAXMWRAQG-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.55
Rot. Bonds4

About 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine

5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 80857856) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID80857856
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC Name5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H18FN5/c1-5-6-15-13-16-7-11(14)12(17-13)19-10(4)8(2)9(3)18-19/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyXVLHNCAXMWRAQG-UHFFFAOYSA-N
XLogP2.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine (CID 80857856) is 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine is CCCNc1ncc(F)c(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is XVLHNCAXMWRAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c1-5-6-15-13-16-7-11(14)12(17-13)19-10(4)8(2)9(3)18-19/h7H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).