(2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine

C20H26FN5 — CID 139439550

IUPAC(2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine
SMILESC/C(N)=C/C=C(\N)Cc1c(C2CCC2)ccc(C2=NC=C(N)NC2)c1F
InChIInChI=1S/C20H26FN5/c1-12(22)5-6-14(23)9-17-15(13-3-2-4-13)7-8-16(20(17)21)18-10-26-19(24)11-25-18/h5-8,11,13,26H,2-4,9-10,22-24H2,1H3/b12-5-,14-6-
InChIKeyVOYACZHRHKPKFH-ZVKDIXJXSA-N
MW355.46 g/mol
LogP2.49
Rot. Bonds5

About (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine

(2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine (PubChem CID 139439550) has the molecular formula C20H26FN5 and a molecular weight of 355.46 g/mol. Its IUPAC name is (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine
PubChem CID139439550
Molecular FormulaC20H26FN5
Molecular Weight355.46 g/mol
Exact Mass355.22
IUPAC Name(2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine
SMILESC/C(N)=C/C=C(\N)Cc1c(C2CCC2)ccc(C2=NC=C(N)NC2)c1F
InChIInChI=1S/C20H26FN5/c1-12(22)5-6-14(23)9-17-15(13-3-2-4-13)7-8-16(20(17)21)18-10-26-19(24)11-25-18/h5-8,11,13,26H,2-4,9-10,22-24H2,1H3/b12-5-,14-6-
InChIKeyVOYACZHRHKPKFH-ZVKDIXJXSA-N
XLogP2.49
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine?
The IUPAC name of (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine (CID 139439550) is (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine.
What is the SMILES notation for (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine?
The canonical SMILES for (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine is C/C(N)=C/C=C(\N)Cc1c(C2CCC2)ccc(C2=NC=C(N)NC2)c1F.
What is the InChIKey of (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine?
The InChIKey is VOYACZHRHKPKFH-ZVKDIXJXSA-N. The full InChI is InChI=1S/C20H26FN5/c1-12(22)5-6-14(23)9-17-15(13-3-2-4-13)7-8-16(20(17)21)18-10-26-19(24)11-25-18/h5-8,11,13,26H,2-4,9-10,22-24H2,1H3/b12-5-,14-6-.
What are the key properties of (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine?
(2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine has a molecular weight of 355.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine is sourced from PubChem (CID 139439550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).