N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine

C14H12FN5S — CID 50943451

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine
SMILESFc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H12FN5S/c15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8/h1-2,5-8H,3-4H2,(H2,16,17,18,19,20)
InChIKeyOJDCVKPUTNHLGD-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.69
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 50943451) has the molecular formula C14H12FN5S and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID50943451
Molecular FormulaC14H12FN5S
Molecular Weight301.35 g/mol
Exact Mass301.08
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine
SMILESFc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H12FN5S/c15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8/h1-2,5-8H,3-4H2,(H2,16,17,18,19,20)
InChIKeyOJDCVKPUTNHLGD-UHFFFAOYSA-N
XLogP3.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.69
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)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine (CID 50943451) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine is Fc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is OJDCVKPUTNHLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5S/c15-9-7-16-14(11-2-1-5-21-11)18-13(9)17-12-6-10(19-20-12)8-3-4-8/h1-2,5-8H,3-4H2,(H2,16,17,18,19,20).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 3.69, 4 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)-5-fluoro-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50943451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).