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

C10H11ClFN5 — CID 80857216

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C10H11ClFN5/c1-5-8(11)6(2)17(16-5)9-7(12)4-14-10(13-3)15-9/h4H,1-3H3,(H,13,14,15)
InChIKeyYEAUXQLEDGEFQO-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.11
Rot. Bonds2

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80857216) has the molecular formula C10H11ClFN5 and a molecular weight of 255.68 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80857216
Molecular FormulaC10H11ClFN5
Molecular Weight255.68 g/mol
Exact Mass255.07
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C10H11ClFN5/c1-5-8(11)6(2)17(16-5)9-7(12)4-14-10(13-3)15-9/h4H,1-3H3,(H,13,14,15)
InChIKeyYEAUXQLEDGEFQO-UHFFFAOYSA-N
XLogP2.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.11
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-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine (CID 80857216) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is YEAUXQLEDGEFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5/c1-5-8(11)6(2)17(16-5)9-7(12)4-14-10(13-3)15-9/h4H,1-3H3,(H,13,14,15).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 255.68 g/mol, XLogP of 2.11, 2 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-methylpyrimidin-2-amine is sourced from PubChem (CID 80857216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).