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

C11H14FN5 — CID 80853428

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C11H14FN5/c1-4-13-11-14-6-9(12)10(15-11)17-8(3)5-7(2)16-17/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyXTQDMCHDFRNDFO-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.85
Rot. Bonds3

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

4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80853428) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80853428
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C11H14FN5/c1-4-13-11-14-6-9(12)10(15-11)17-8(3)5-7(2)16-17/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyXTQDMCHDFRNDFO-UHFFFAOYSA-N
XLogP1.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80901964
6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80853957
4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 82699570
5-N-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-N-ethylpyrazine-2,5-diamine
CID 25230632
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80804390
N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 113482956
N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
CID 80857593
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80799247
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 107580670
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024
2-(3,5-dimethylpyrazol-1-yl)-3-fluoropyridine
CID 63810538
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825104

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (CID 80853428) is 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is XTQDMCHDFRNDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-4-13-11-14-6-9(12)10(15-11)17-8(3)5-7(2)16-17/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 235.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80853428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).