6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine

C15H14FN5O — CID 133491039

IUPAC6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(Nc2cnn(-c3ccccc3F)c2)ncn1
InChIInChI=1S/C15H14FN5O/c1-2-22-15-7-14(17-10-18-15)20-11-8-19-21(9-11)13-6-4-3-5-12(13)16/h3-10H,2H2,1H3,(H,17,18,20)
InChIKeyNZRFWDVQZBEXHW-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.94
Rot. Bonds5

About 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine

6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 133491039) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID133491039
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(Nc2cnn(-c3ccccc3F)c2)ncn1
InChIInChI=1S/C15H14FN5O/c1-2-22-15-7-14(17-10-18-15)20-11-8-19-21(9-11)13-6-4-3-5-12(13)16/h3-10H,2H2,1H3,(H,17,18,20)
InChIKeyNZRFWDVQZBEXHW-UHFFFAOYSA-N
XLogP2.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine (CID 133491039) is 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine is CCOc1cc(Nc2cnn(-c3ccccc3F)c2)ncn1.
What is the InChIKey of 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is NZRFWDVQZBEXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-2-22-15-7-14(17-10-18-15)20-11-8-19-21(9-11)13-6-4-3-5-12(13)16/h3-10H,2H2,1H3,(H,17,18,20).
What are the key properties of 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine?
6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 299.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133491039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).