N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine

C16H16FN5S — CID 90243451

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine
SMILESCCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H16FN5S/c1-2-10-5-6-13(23-10)16-18-8-11(17)15(20-16)19-14-7-12(21-22-14)9-3-4-9/h5-9H,2-4H2,1H3,(H2,18,19,20,21,22)
InChIKeyJOEYBDWHDKKNDT-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.25
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine (PubChem CID 90243451) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine
PubChem CID90243451
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine
SMILESCCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C16H16FN5S/c1-2-10-5-6-13(23-10)16-18-8-11(17)15(20-16)19-14-7-12(21-22-14)9-3-4-9/h5-9H,2-4H2,1H3,(H2,18,19,20,21,22)
InChIKeyJOEYBDWHDKKNDT-UHFFFAOYSA-N
XLogP4.25
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine (CID 90243451) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine is CCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine?
The InChIKey is JOEYBDWHDKKNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c1-2-10-5-6-13(23-10)16-18-8-11(17)15(20-16)19-14-7-12(21-22-14)9-3-4-9/h5-9H,2-4H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 90243451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).