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

C13H18FN5 — CID 80857685

IUPACN-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(-n2nc(C)c(CC)c2C)n1
InChIInChI=1S/C13H18FN5/c1-5-10-8(3)18-19(9(10)4)12-11(14)7-16-13(17-12)15-6-2/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyKJBQUTMDHQDOTD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.41
Rot. Bonds4

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

N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80857685) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine
PubChem CID80857685
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(-n2nc(C)c(CC)c2C)n1
InChIInChI=1S/C13H18FN5/c1-5-10-8(3)18-19(9(10)4)12-11(14)7-16-13(17-12)15-6-2/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyKJBQUTMDHQDOTD-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine (CID 80857685) is N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(-n2nc(C)c(CC)c2C)n1.
What is the InChIKey of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is KJBQUTMDHQDOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c1-5-10-8(3)18-19(9(10)4)12-11(14)7-16-13(17-12)15-6-2/h7H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine?
N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80857685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).