6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine

C17H18FN5O — CID 133484487

IUPAC6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2ccn(-c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C17H18FN5O/c1-2-24-17-11-16(20-12-21-17)19-9-7-14-8-10-23(22-14)15-5-3-13(18)4-6-15/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,20,21)
InChIKeyRLCRSBTTYLNAAB-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.85
Rot. Bonds7

About 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine

6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine (PubChem CID 133484487) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine
PubChem CID133484487
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2ccn(-c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C17H18FN5O/c1-2-24-17-11-16(20-12-21-17)19-9-7-14-8-10-23(22-14)15-5-3-13(18)4-6-15/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,20,21)
InChIKeyRLCRSBTTYLNAAB-UHFFFAOYSA-N
XLogP2.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine (CID 133484487) is 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine is CCOc1cc(NCCc2ccn(-c3ccc(F)cc3)n2)ncn1.
What is the InChIKey of 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine?
The InChIKey is RLCRSBTTYLNAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-2-24-17-11-16(20-12-21-17)19-9-7-14-8-10-23(22-14)15-5-3-13(18)4-6-15/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,20,21).
What are the key properties of 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine?
6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine has a molecular weight of 327.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133484487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).